Crystallography Open Database

Information card for entry 7215544

Preview

Coordinates	7215544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N4 O2
Calculated formula	C22 H22 N4 O2
Title of publication	Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores
Authors of publication	Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	4
Pages of publication	589 - 596
a	7.7958 ± 0.001 Å
b	11.5638 ± 0.0015 Å
c	12.0921 ± 0.0016 Å
α	75.457 ± 0.002°
β	74.781 ± 0.002°
γ	80.84 ± 0.002°
Cell volume	1013.1 ± 0.2 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 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	0.1019
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7200269
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
218443 (current)	2019-09-18	cif/7/21/55/ Marked entries 7215544-7215546 as duplicates of entries 7200269-7200271.	7215544.cif
218442	2019-09-18	cif/7/21/55/ Updated bibliographic information in entries 7215544-7215546.	7215544.cif
180486	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/55.	7215544.cif
112517	2014-05-02	cif/ Adding structures of 7215544, 7215545, 7215546 via cif-deposit CGI script.	7215544.cif