Crystallography Open Database

Information card for entry 4505306

Preview

Coordinates	4505306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H168 O20
Calculated formula	C100 H168 O20
Title of publication	Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths
Authors of publication	Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	2
Pages of publication	263
a	11.5419 ± 0.0005 Å
b	11.5419 ± 0.0005 Å
c	69.338 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9236.9 ± 0.8 Å³
Cell temperature	296.2 K
Number of distinct elements	3
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for significantly intense reflections	0.1715
Weighted residual factors for all reflections included in the refinement	0.4185
Goodness-of-fit parameter for all reflections included in the refinement	4.831
Diffraction radiation wavelength	1.5418 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.	4505306.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505306.cif
51381	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505301, 4505302, 4505303, 4505304, 4505305, 4505306 via cif-deposit CGI script.	4505306.cif