Crystallography Open Database

Information card for entry 7151302

Preview

Coordinates	7151302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.5 H76.5 Cl1.5 N6 O6
Calculated formula	C61.5 H76.5 Cl1.5 N6 O6
Title of publication	Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.
Authors of publication	Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker
Journal of publication	Organic & biomolecular chemistry
Year of publication	2006
Journal volume	4
Journal issue	21
Pages of publication	3938 - 3944
a	34.004 ± 0.004 Å
b	15.738 ± 0.003 Å
c	26.894 ± 0.004 Å
α	90°
β	122.233 ± 0.005°
γ	90°
Cell volume	12174 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.151
Residual factor for significantly intense reflections	0.1004
Weighted residual factors for significantly intense reflections	0.292
Weighted residual factors for all reflections included in the refinement	0.326
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7151302.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151302.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151302.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7151302.cif