Crystallography Open Database

Information card for entry 7063285

Preview

Coordinates	7063285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 Cl
Calculated formula	C20 H15 Cl
Title of publication	Effect of cis/trans isomerization on the photochromic performances of triphenylethylene
Authors of publication	Li, Zhuo-Cheng; Cui, Hao; Xu, Su-Hang; Zhang, Zi-Hang; Liang, Zuo-Qin; Ye, Chang-Qing; Wang, Xiao-Mei
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	28
Pages of publication	12834 - 12840
a	9.406 ± 0.003 Å
b	12.232 ± 0.003 Å
c	15.42 ± 0.004 Å
α	72.748 ± 0.004°
β	73.634 ± 0.004°
γ	69.98 ± 0.004°
Cell volume	1559.5 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1135
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.282
Weighted residual factors for all reflections included in the refinement	0.3248
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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