Crystallography Open Database

Information card for entry 7234309

Preview

Coordinates	7234309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H37 N3 O4
Calculated formula	C41 H37 N3 O4
SMILES	c1(ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC)/N=C/c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC
Title of publication	Visualized acid-base discoloration and optoelectronic investigations of azines and azomethines having double 4-[N,N-di(4-methoxyphenyl)amino]phenyl terminals
Authors of publication	Bin-Bin Ma; Hua Zhang; Yu Wang; Yu-Xin Peng; Wei Huang; Ming-Kui Wang; Yan Shen
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7748 - 7755
a	20.928 ± 0.002 Å
b	10.0003 ± 0.0011 Å
c	33.93 ± 0.004 Å
α	90°
β	102.537 ± 0.002°
γ	90°
Cell volume	6931.8 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.2189
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
219023 (current)	2019-10-02	cif/ Adding structures of 7234308, 7234309 via cif-deposit CGI script.	7234309.cif