Crystallography Open Database

Information card for entry 8102393

Preview

Coordinates	8102393.cif

Structure parameters

Formula	C26 H21 N
Calculated formula	C26 H21 N
SMILES	C(c1ccccc1)(c1ccccc1)N=C(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of N-(diphenylmethylene)diphenylmethanamine, C26H21N
Authors of publication	Dun-Jia Wang; Ling Fan; Guo-Hong Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	2
Pages of publication	186
a	27.8614 ± 0.0015 Å
b	8.7867 ± 0.0005 Å
c	24.5035 ± 0.0014 Å
α	90°
β	94.624 ± 0.001°
γ	90°
Cell volume	5979.2 ± 0.6 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1079
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102393.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102393.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102393.cif
13132	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102393 via cif-deposit CGI script.	8102393.cif