Crystallography Open Database

Information card for entry 7151202

Preview

Coordinates	7151202.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)
Chemical name	6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)
Formula	C30 H32 N2
Calculated formula	C30 H32 N2
SMILES	c1(c(c(c(=Cc2ccccc2)n1)CC)CC)c1c(c(c(=Cc2ccccc2)n1)CC)CC
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	14.883 ± 0.004 Å
b	7.83 ± 0.002 Å
c	20.587 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2399.1 ± 1.1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0793
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7151202.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151202.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151202.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7151202.cif