Polymorphism, polar morphology and absolute structure determination of 4-iodo-4′-nitrobiphenyl (INBP)

CrystEngComm ◽  
2010 ◽  
Vol 12 (4) ◽  
pp. 1252-1262 ◽  
Author(s):  
Gaël Labat ◽  
Norwid-Rasmus Behrnd ◽  
Gaëtan Couderc ◽  
Michel Bonin ◽  
Julius Tsuwi ◽  
...  
Keyword(s):  
Structure Determination ◽  
Absolute Structure

scholarly journals Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method

2015 ◽  
Vol 6 (7) ◽  
pp. 3765-3768 ◽  
Author(s):  
Shota Yoshioka ◽  
Yasuhide Inokuma ◽  
Manabu Hoshino ◽  
Takashi Sato ◽  
Makoto Fujita
Keyword(s):  
Structure Determination ◽  
Asymmetric Syntheses ◽  
Planar Chirality ◽  
The Absolute ◽  
Absolute Structure

The absolute structure determination of compounds with axial and planar chirality obtained by recently developed asymmetric syntheses was achieved using the crystalline sponge method without using any reference compounds or synthetic modifications.

Chiral Crystalline Sponges for the Absolute Structure Determination of Chiral Guests

2017 ◽  
Vol 139 (33) ◽  
pp. 11341-11344 ◽  
Author(s):  
KaKing Yan ◽  
Ritesh Dubey ◽  
Tatsuhiko Arai ◽  
Yasuhide Inokuma ◽  
Makoto Fujita
Keyword(s):  
Structure Determination ◽  
The Absolute ◽  
Absolute Structure

scholarly journals Redetermination of β-Ba(PO3)2

2014 ◽  
Vol 70 (2) ◽  
pp. i7-i7 ◽  
Author(s):  
Matthias Weil
Keyword(s):  
Bond Length ◽  
Coordination Polyhedron ◽  
Structure Determination ◽  
Length Distribution ◽  
Anisotropic Displacement Parameters ◽  
The Absolute ◽  
Bond Length Distribution ◽  
Absolute Structure ◽  
Atomic Coordinates

In comparison with the previous structure determination of the β-modification of bariumcatena-polyphosphate that was based on Weissenberg film data [Grenieret al.(1967).Bull. Soc. Fr. Minéral. Cristallogr.90, 24–31], the current CCD-data-based redetermination reveals all atoms with anisotropic displacement parameters, standard uncertainties for the atomic coordinates, and the determination of the absolute structure. Moreover, a much higher accuracy in terms of the bond-length distribution for the polyphosphate chain, with two shorter and two longer P—O distances, was achieved. The structure consists of polyphosphate chains extending parallel to [100] with a periodicity of two PO4tetrahedra. The Ba2+cations are located between the chains and are surrounded by ten O atoms in the form of a distorted coordination polyhedron, with Ba—O distances ranging from 2.765 (3) to 3.143 (3) Å, also reflecting the higher precision of the current redetermination.

The use of Mo Kα radiation in the assignment of the absolute configuration of light-atom molecules; the importance of high-resolution data

2014 ◽  
Vol 70 (4) ◽  
pp. 660-668 ◽  
Author(s):  
Eduardo C. Escudero-Adán ◽  
Jordi Benet-Buchholz ◽  
Pablo Ballester
Keyword(s):  
High Resolution ◽  
Crystal Structures ◽  
Structure Determination ◽  
Great Majority ◽  
Data Sets ◽  
Light Atom ◽  
High Resolution Data ◽  
The Absolute ◽  
Absolute Structure

Recent studies have confirmed the usefulness of the Hooft and Parsons methodologies for determination of the absolute crystal structures of enantiopure light-atom compounds using CuKα radiation. While many single-crystal diffractometers used for small-molecule structure determination are equipped with molybdenum anodes, use of data from such instruments for the absolute structure determination of light-atom crystal structures is rarely documented and has often been found to be unsuccessful. The Hooft and Parsons methodologies have been applied to 44 data sets obtained from single crystals containing light-atom molecules of known chirality using Mo Kαradiation. Several factors influencing the calculation of accurate and precise values for the Hooft and Parsons parameters obtained from these data sets have been identified, the inclusion of high-resolution diffraction data being particularly important. The correct absolute structure was obtained in all cases, with the standard uncertainties of the final absolute structure parameters below 0.1 for the great majority.

Absolute Structure Determination of the Highly Biologically Active Bisdehydrodoisynolic Acids

2000 ◽  
Vol 89 (4) ◽  
pp. 513-518 ◽  
Author(s):  
Cal Y. Meyers ◽  
Yuqing Hou ◽  
Paul D. Robinson ◽  
Stuart Adler ◽  
William J. Banz ◽  
...  
Keyword(s):  
Structure Determination ◽  
Biologically Active ◽  
Absolute Structure

Studies of Australian Soft Corals. XXXVIII. Structure Determination of Several Diterpenes Derived From a Cespitularia Species (Coelenterata, Octocorallia, Xeniidae)

1986 ◽  
Vol 39 (5) ◽  
pp. 803 ◽  
Author(s):  
BF Bowden ◽  
JC Coll ◽  
JM Gulbis ◽  
MF Mackay ◽  
RH Willis
Keyword(s):  
Structure Determination ◽  
Structure Elucidation ◽  
Soft Coral ◽  
Authentic Sample ◽  
Spectroscopic Studies ◽  
Soft Corals ◽  
X Ray ◽  
Spectral Comparison ◽  
Absolute Structure

The structure elucidation of three new diterpenes , isolated from a soft coral Cespitularia species, is reported. Two of the metabolites (3), (7E,11E,1R*,3aS*,4S*,12aR*)-11-iso-propyl-1,4,8-trimethyl- 1,2,3,3a,4,5,6,9,10,12a-decahydrocyclopentacycloundecene-1,4-diol, and (4), (4E,7E,11E)-11-isopropyl-1,4,8-trimethyl-1,2,3,3a,6,9,10,12a-octahydrocyclopentacyclo-undecen-1-ol, are shown to possess a further cyclized cembrane skeleton, the structure of (3) being determined by a single-crystal X-ray determination while that of (4) was deduced from spectral comparison with (3). The structure of the remaining diterpene (5) (4,5-deoxyneodolabelline) was deduced from 1H and 13C n.m.r . spectroscopic studies and shown to be closely related to the recently reported clavularian metabolite neodolabelline (8). An authentic sample of neodolabelline (8) was chemically transformed into (5) by the action of a zinc-copper couple establishing the absolute structure of (5).

scholarly journals Redetermination of theγ-form of tellurium dioxide

IUCrData ◽  
2017 ◽  
Vol 2 (12) ◽  
Author(s):  
Matthias Weil
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Structure Determination ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Accuracy And Precision ◽  
Anisotropic Displacement Parameters ◽  
Absolute Structure

The crystal structure of γ-TeO2was redetermined on the basis of single-crystal X-ray diffraction data. The previous structure determination of this modification was based on laboratory powder X-ray diffraction data [Champarnaud-Mesjardet al.(2000).J. Phys. Chem. Solids,61, 1499–1507]. The current redetermination revealed all atoms with anisotropic displacement parameters, accompanied with a much higher accuracy and precision in terms of bond lengths and angles, and the determination of the absolute structure. The crystal structure consists of TeO4bisphenoids that combine through corner-sharing of all their oxygen atoms into a three-dimensional framework.

ChemInform Abstract: Total Synthesis of (S)-Espicufolin and Absolute Structure Determination of Espicufolin.

ChemInform ◽  
2010 ◽  
Vol 30 (38) ◽  
pp. no-no
Author(s):  
Hidemitsu Uno ◽  
Katsuji Sakamoto ◽  
Erina Honda ◽  
Noboru Ono
Keyword(s):  
Total Synthesis ◽  
Structure Determination ◽  
Absolute Structure

Absolute structure determination of (2R,1′S)-2-(1′-benzyl-2′-hydroxyethylamino)-4-phenylbutanoic acid

2004 ◽  
Vol 697 (1-3) ◽  
pp. 101-107 ◽  
Author(s):  
D. Berkeš ◽  
A. Kolarovič ◽  
R.G. Raptis ◽  
P. Baran
Keyword(s):  
Structure Determination ◽  
Absolute Structure
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