Crystallography Open Database

Information card for entry 4503342

Preview

Coordinates	4503342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H49 N O4
Calculated formula	C32 H49 N O4
Title of publication	Importance of Weak Hydrogen Bonds in the Formation of Cholamide Inclusion Crystals with Aromatic Guests
Authors of publication	Aburaya, Kazuaki; Nakano, Kazunori; Sada, Kazuki; Yoswathananont, Nungruethai; Shigesato, Masashi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	3
Pages of publication	1013
a	12.0897 ± 0.0004 Å
b	7.8764 ± 0.0003 Å
c	16.3646 ± 0.0005 Å
α	90°
β	110.882 ± 0.0017°
γ	90°
Cell volume	1455.94 ± 0.09 Å³
Cell temperature	213.1 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	0.1658
Weighted residual factors for all reflections included in the refinement	0.4466
Goodness-of-fit parameter for all reflections included in the refinement	1.851
Diffraction radiation wavelength	1.54187 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.	4503342.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503342.cif
41495	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503339, 4503340, 4503341, 4503342, 4503343, 4503344, 4503345, 4503346, 4503347, 4503348, 4503349, 4503350, 4503351, 4503352, 4503353, 4503354, 4503355, 4503356 via cif-deposit CGI script.	4503342.cif