Crystallography Open Database

Information card for entry 7111630

Preview

Coordinates	7111630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 O5
Calculated formula	C44 H38 O5
SMILES	O(c1ccc(C2(c3c4c(ccc3)COCc3c4c(ccc3)C2(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C
Title of publication	Drastic change in racemization barrier upon redox reactions: novel chiral-memory units based on dynamic redox systems
Authors of publication	Suzuki, Takanori; Wada, Kazuhisa; Ishigaki, Yusuke; Yoshimoto, Yasuyo; Ohta, Eisuke; Kawai, Hidetoshi; Fujiwara, Kenshu
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	23
Pages of publication	4100 - 4102
a	12.331 ± 0.002 Å
b	20.121 ± 0.004 Å
c	13.178 ± 0.002 Å
α	90 ± 0.0009°
β	94.0081 ± 0.0009°
γ	90 ± 0.0009°
Cell volume	3261.6 ± 1 Å³
Cell temperature	153.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	0.669
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111630.cif
96711	2014-01-29	cif/ Adding structures of 7111629, 7111630, 7111631 via cif-deposit CGI script.	7111630.cif