Crystallography Open Database

Information card for entry 7058811

Preview

Coordinates	7058811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H52 F6 N2 O0.5 S2
Calculated formula	C67.003 H48 F6.006 N2 S2
Title of publication	Diarylethene-based conjugated polymer networks for ultrafast photochromic films
Authors of publication	Fu, Qiu-Ting; Yan, Xiaodong; Li, Tao; Zhang, Xin-Yue; He, Yue; Zhang, Wen-Da; Liu, Yong; Li, Yunxing; Gu, Zhi-Guo
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	39
Pages of publication	15797
a	39.4752 ± 0.0011 Å
b	9.6754 ± 0.0003 Å
c	28.3165 ± 0.0009 Å
α	90°
β	99.622 ± 0.003°
γ	90°
Cell volume	10663 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1623
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
224784 (current)	2019-11-08	cif/ Updating files of 7058810, 7058811 Original log message: Adding full bibliography for 7058810--7058811.cif.	7058811.cif
218029	2019-09-06	cif/ Adding structures of 7058810, 7058811 via cif-deposit CGI script.	7058811.cif