Crystallography Open Database

Information card for entry 4025763

Preview

Coordinates	4025763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H19 N5
Calculated formula	C32 H19 N5
Title of publication	Synthesis, Crystal Structures, and Photophysical Properties of Triphenylamine-Based Multicyano Derivatives
Authors of publication	Xianglin Tang; Weimin Liu; Jiasheng Wu; Chun-Sing Lee; Juanjuan You; Pengfei Wang
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	7273 - 7278
a	10.19 ± 0.002 Å
b	10.426 ± 0.002 Å
c	27.174 ± 0.005 Å
α	99.24 ± 0.03°
β	91.06 ± 0.03°
γ	116.77 ± 0.03°
Cell volume	2530.6 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.0884
Weighted residual factors for significantly intense reflections	0.1826
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.171
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
178436 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/57.	4025763.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4025763.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4025763.cif
11568	2011-02-15	../uploads/cif-deposit/cod/cif Adding structures of 4025763 via cif-deposit CGI script.	4025763.cif