Crystallography Open Database

Information card for entry 7113229

Preview

Coordinates	7113229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H57 N O5
Calculated formula	C29.39 H53.32 N O4.77
Title of publication	Dependence of the enantioselectivity on reversion of layer directions in cholamide inclusion compounds
Authors of publication	Aburaya, Kazuaki; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	41
Pages of publication	4257 - 4259
a	12.1773 ± 0.0004 Å
b	7.8453 ± 0.0003 Å
c	16.2028 ± 0.0005 Å
α	90°
β	107.044 ± 0.0017°
γ	90°
Cell volume	1479.94 ± 0.09 Å³
Cell temperature	98.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.4679
Goodness-of-fit parameter for all reflections included in the refinement	1.476
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Duplicate of	7102208
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210747 (current)	2018-09-10	cif/7/ Updating bibliography in entries 7102208-7102209, 7113229-7113230. Marking entries 7113229-7113230 as duplicates of entries 7102208-7102209.	7113229.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.	7113229.cif
113394	2014-05-12	cif/ Adding structures of 7113229, 7113230 via cif-deposit CGI script.	7113229.cif