Crystallography Open Database

Information card for entry 7151303

Preview

Coordinates	7151303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H78 Cl6 N6 O12 S3
Calculated formula	C63 H78 Cl6 N6 O12 S3
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	14.362 ± 0.0006 Å
b	14.73 ± 0.0006 Å
c	18.993 ± 0.0006 Å
α	67.851 ± 0.001°
β	70.264 ± 0.001°
γ	80.386 ± 0.001°
Cell volume	3499.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1602
Residual factor for significantly intense reflections	0.0909
Weighted residual factors for significantly intense reflections	0.2362
Weighted residual factors for all reflections included in the refinement	0.2816
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180299 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/13.	7151303.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151303.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151303.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7151303.cif