Crystallography Open Database

Information card for entry 4028676

Preview

Coordinates	4028676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 N2 O0
Calculated formula	C33 H26 N2
SMILES	c1ccccc1N(c1ccccc1)c1ccc(cc1)/C=C/c1ccc(cc1)/N=C/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	9.806 ± 0.003 Å
b	15.377 ± 0.005 Å
c	24.836 ± 0.008 Å
α	88.03 ± 0.004°
β	88.733 ± 0.004°
γ	82.218 ± 0.004°
Cell volume	3708 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3235
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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.	4028676.cif
94875	2014-01-28	cif/ Adding structures of 4028676 via cif-deposit CGI script.	4028676.cif