Circular dichroism, crystal structure, and absolute configuration of the siderophore ferric N,N',N"-triacetylfusarinine, FeC39H57N6O15

1980 ◽  
Vol 102 (18) ◽  
pp. 5766-5773 ◽  
Author(s):  
M. B. Hossain ◽  
D. L. Eng-Wilmot ◽  
R. A. Loghry ◽  
Dick Van der Helm
Keyword(s):  
Crystal Structure ◽  
Circular Dichroism ◽  
Absolute Configuration ◽  
Circular Dichroïsm

Absolute configuration determination of theanti-head-to-head photocyclodimer of anthracene-2-carboxylic acid through cocrystallization withL-prolinol

2013 ◽  
Vol 69 (11) ◽  
pp. 1411-1413 ◽  
Author(s):  
Yuko Kawanami ◽  
Hidekazu Tanaka ◽  
Jun-ichi Mizoguchi ◽  
Nobuko Kanehisa ◽  
Gaku Fukuhara ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Circular Dichroism ◽  
Carboxylic Acid ◽  
Absolute Configuration ◽  
Void Space ◽  
Circular Dichroism Spectra ◽  
The Absolute ◽  
Circular Dichroïsm ◽  
Hydrogen Bonded

The absolute configuration has been established of the enantiopureanti-head-to-head cyclodimer of anthracene-2-carboxylic acid (AC) cocrystallized with L-propinol and dichloromethane [systematic name: (S)-2-(hydroxymethyl)pyrrolidin-1-ium (5R,6S,11R,12S)-8-carboxy-5,6,11,12-tetrahydro-5,12:6,11-bis([1,2]benzeno)dibenzo[a,e][8]annulene-2-carboxylate dichloromethane monosolvate], C5H12NO+·C30H19O4−·CH2Cl2. In the crystal structure, the AC dimer interacts with L-prolinol through a nine-membered hydrogen-bonded ring [R22(9)], while the dichloromethane molecule is incorporated to fill the void space. The absolute configuration determined in this study verifies a recent assignment made by comparing theoreticalversusexperimental circular dichroism spectra.

scholarly journals Redetermination and absolute configuration of berkeleydione

2015 ◽  
Vol 71 (4) ◽  
pp. o248-o248 ◽  
Author(s):  
Andrea Stierle ◽  
Donald Stierle ◽  
Daniel Decato
Keyword(s):  
Crystal Structure ◽  
Circular Dichroism ◽  
Absolute Configuration ◽  
Title Compound ◽  
Crystal Packing ◽  
The Absolute ◽  
Circular Dichroïsm

The crystal structure of the title compound, berkeleydione [systematic name; (5aS,7R,9S,11R,11aS)-methyl 9-hydroxy-1,1,5,7,9,11a-hexamethyl-14-methylidene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodecahydro-7,11-methanocycloocta[4,5]cyclohepta[1,2-c]pyran-11-carboxylate], C26H32O7, has been reported previously [Stierleet al.(2004).Org. Lett.6, 1049–1052]. However, the absolute configuration could not be determined from the data collected with MoKα radiation and has now been determined by refinement of the Flack parameter with data collected using CuKα radiation. It is in agreement with the previous circular dichroism assignment, and the crystal packing is similar to that described previously.

(1S,7S)-7-Methyl-6,9-diazatricyclo[6,3,0,01,6]tridecane-5,10-dione, a tricyclic spirodilactam containing non-planar amide groups: Synthesis, NMR, crystal structure, absolute configuration, electronic and vibrational circular dichroism

1988 ◽  
Vol 53 (11) ◽  
pp. 2447-2472 ◽  
Author(s):  
Petr Maloň ◽  
C. L. Barness ◽  
Miloš Buděšínský ◽  
Rina K. Dukor ◽  
Dick Van der Helm ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Circular Dichroism ◽  
Absolute Configuration ◽  
Optically Active ◽  
Vibrational Circular Dichroism ◽  
X Ray Diffraction ◽  
X Ray ◽  
Circular Dichroïsm ◽  
C Nmr ◽  
Active Precursor

The title spirocyclic dilactam (1S,7S)-7-methyl-6,9-diazatricyclo[6,3,0,01,6]tridecan-5,10-dione (I), a molecule designed to contain non-planar amide groups, has been synthesized from an optically active precursor of known absolute configuration. The relative and absolute configuration have been determined by X-ray diffraction. The conformation of the compound has been investigated by X-ray, 1H and 13C NMR, electronic and vibrational circular dichroism. The compound possesses moderately non-planar amide groups in the two rings of nonequal geometry. The electronic CD is dominated by inherent chirality of the amide chromophores. The dilactams I and II ((1S,6S)-6-methyl-5,8-diazatricyclo[6,3,0,01,5]undecan-4,9-dione – having five-membered rings) exhibit monosignate amide I VCD and strong VCD bands in the mid-ir region.

Crystal structure of aristoserratine

1983 ◽  
Vol 36 (5) ◽  
pp. 1037 ◽  
Author(s):  
IRC Bick ◽  
MA Hai ◽  
VA Patrick ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Circular Dichroism ◽  
Single Crystal ◽  
Absolute Configuration ◽  
Circular Dichroism Spectrum ◽  
X Ray Diffraction ◽  
Relative Configuration ◽  
X Ray ◽  
The Absolute ◽  
Circular Dichroïsm

The crystal structure of the alkaloid aristoserratine,* C20H24N2O, has been determined by single-crystal X-ray diffraction methods at 295 K, the structure being refined to a residual of 0.034 for 1107 independent 'observed' reflections. Crystals are monoclinic, P21, a 14.836(5), b 8.568(3), c 6.633(3) �, β 98.05(3)�, Z 2. The relative configuration is established and, by inference, by comparison of the circular dichroism spectrum with that of aristoteline, the absolute configuration is assigned.

Sign in / Sign up

Export Citation Format

Share Document