Crystallography Open Database

Information card for entry 7151203

Preview

Coordinates	7151203.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane
Chemical name	6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane
Formula	C25 H22 N2
Calculated formula	C25 H22 N2
SMILES	c1(nc(=Cc2ccccc2)cc1)C(C)(c1ccc(=Cc2ccccc2)n1)C
Title of publication	Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.
Authors of publication	Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2006
Journal volume	4
Journal issue	11
Pages of publication	2247 - 2252
a	17.135 ± 0.003 Å
b	38.228 ± 0.008 Å
c	6.1877 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4053.2 ± 1.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180298 (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 7/15/12.	7151203.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151203.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151203.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7151203.cif