Crystallography Open Database

Information card for entry 7207499

7207498 << 7207499 >> 7207500

Preview

Coordinates	7207499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 N2 O S4
Calculated formula	C30 H28 N2 O S4
Title of publication	A new building block, bis(thiophene vinyl)-pyrimidine, for constructing excellent two-photon absorption materials: synthesis, crystal structure and properties
Authors of publication	Chen, Dugang; Zhong, Cheng; Dong, Xiaohu; Liu, Zhihong; Qin, Jingui
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	10
Pages of publication	4343
a	9.9129 ± 0.0008 Å
b	31.483 ± 0.002 Å
c	18.6483 ± 0.0014 Å
α	90°
β	105.132 ± 0.002°
γ	90°
Cell volume	5618.1 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1105
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.181
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180405 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/74.	7207499.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207499.cif
37706	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7207499 via cif-deposit CGI script.	7207499.cif