Crystallography Open Database

Information card for entry 4028679

Preview

Coordinates	4028679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H25 N3
Calculated formula	C32 H25 N3
SMILES	N(c1ccccc1)(c1ccc(/C=C/c2ccc(/N=C/c3ccncc3)cc2)cc1)c1ccccc1
Title of publication	Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces
Authors of publication	Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	10344 - 10359
a	9.7586 ± 0.0012 Å
b	15.4226 ± 0.0019 Å
c	24.439 ± 0.003 Å
α	88.839 ± 0.002°
β	89.37 ± 0.002°
γ	82.413 ± 0.002°
Cell volume	3645.1 ± 0.8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.1438
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1875
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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
178465 (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 4/02/86.	4028679.cif
94878	2014-01-28	cif/ Adding structures of 4028679 via cif-deposit CGI script.	4028679.cif