Crystallography Open Database

Information card for entry 4028682

Preview

Coordinates	4028682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H35 N3 O
Calculated formula	C37 H35 N3 O
SMILES	c1ccccc1N(c1ccccc1)c1ccc(cc1)/C=C/c1ccc(cc1)/N=C/c1c(cc(cc1)N(CC)CC)O
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	9.2815 ± 0.001 Å
b	9.4972 ± 0.001 Å
c	17.4636 ± 0.0019 Å
α	83.778 ± 0.001°
β	89.848 ± 0.002°
γ	74.469 ± 0.001°
Cell volume	1473.9 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0869
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	4028682.cif
94881	2014-01-28	cif/ Adding structures of 4028682 via cif-deposit CGI script.	4028682.cif