Crystallography Open Database

Information card for entry 7114504

Preview

Coordinates	7114504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 N2 O4
Calculated formula	C23 H28 N2 O4
SMILES	O1[C@H](C[C@H](OC1=O)CCCCCC)c1ccc(N=Nc2ccc(OC)cc2)cc1
Title of publication	A rodlike organogelator: fibrous aggregation of azobenzene derivatives with a syn-chiral carbonate moietyElectronic supplementary information (ESI) available: synthetic scheme for (R,R)-2; FT-IR and SAXS measurements of (R,R)-(+)-1. See http://www.rsc.org/suppdata/cc/b2/b205072b/
Authors of publication	Mamiya, Jun-ichi; Kanie, Kiyoshi; Hiyama, Tamejiro; Ikeda, Tomiki; Kato, Takashi
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	17
Pages of publication	1870
a	5.853 ± 0.0002 Å
b	9.381 ± 0.0005 Å
c	40.728 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2236.3 ± 0.2 Å³
Cell temperature	298 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 all reflections	0.095
Weighted residual factors for all reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections	0.902
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7114504.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114504.cif
116819	2014-06-14	cif/ Adding structures of 7114504 via cif-deposit CGI script.	7114504.cif