Crystallography Open Database

Information card for entry 7111629

Preview

Coordinates	7111629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 Cl12 O5 Sb2
Calculated formula	C44 H38 Cl12 O5 Sb2
SMILES	[Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].O1Cc2c(c(ccc2)[C+](c2ccc(OC)cc2)c2ccc(OC)cc2)c2c(C1)cccc2[C+](c1ccc(OC)cc1)c1ccc(OC)cc1
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	12.073 ± 0.004 Å
b	15.599 ± 0.006 Å
c	27.406 ± 0.011 Å
α	81.941 ± 0.018°
β	80.772 ± 0.018°
γ	79.24 ± 0.018°
Cell volume	4972 ± 3 Å³
Cell temperature	153.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	0.699
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.	7111629.cif
96711	2014-01-29	cif/ Adding structures of 7111629, 7111630, 7111631 via cif-deposit CGI script.	7111629.cif