Crystallography Open Database

Information card for entry 8000153

Preview

Coordinates	8000153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 N O3 P
Calculated formula	C22 H26 N O3 P
SMILES	P(=O)([O-])(O)CCC.[NH3+]C(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Topologically Different Two Pseudo-decahedral Hydrogen-bond Networks Composed of Triphenylmethylammonium Phosphonates
Authors of publication	Yuge, Tetsuharu; Kai, Nobuyasu; Hisaki, Ichiro; Miyata, Mikiji; Norimitsu, Tohnai
Journal of publication	Chemistry Letters
Year of publication	2007
Journal volume	36
Journal issue	11
Pages of publication	1390
a	26.6767 ± 0.0007 Å
b	13.7847 ± 0.0004 Å
c	25.0072 ± 0.0006 Å
α	90°
β	113.082 ± 0.0012°
γ	90°
Cell volume	8459.7 ± 0.4 Å³
Cell temperature	213.1 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.3425
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000153.cif
94296	2014-01-22	cif/ Adding structures of 8000152, 8000153 via cif-deposit CGI script.	8000153.cif