Crystallography Open Database

Information card for entry 4103654

Preview

Coordinates	4103654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H43 N O8
Calculated formula	C39 H43 N O8
SMILES	O[C@H](c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1)C[NH3+].O[C@@H](c1ccccc1)C(=O)[O-].OCC
Title of publication	Tunable Chiral Reaction Media Based on Two-Component Liquid Crystals: Regio-, Diastereo-, and Enantiocontrolled Photodimerization of Anthracenecarboxylic Acids
Authors of publication	Yasuhiro Ishida; Ammathnadu S. Achalkumar; Shun-ya Kato; Yukiko Kai; Aya Misawa; Yumi Hayashi; Kuniyo Yamada; Yuki Matsuoka; Motoo Shiro; Kazuhiko Saigo
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17435 - 17446
a	5.8081 ± 0.0003 Å
b	12.9504 ± 0.0005 Å
c	45.9633 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3457.2 ± 0.3 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.2928
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4103654.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103654.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103654.cif
26687	2011-09-24	../uploads/cif-deposit/cod/cif Adding structures of 4103654 via cif-deposit CGI script.	4103654.cif