Crystallography Open Database

Information card for entry 7060802

Preview

Coordinates	7060802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H54 N4 O6
Calculated formula	C58 H54 N4 O6
Title of publication	Piezochromism of cyanostilbene derivatives: a small structural alteration makes a big photophysical difference
Authors of publication	Zhu, Chenfei; Li, Chengjian; Wen, Li; Song, Qingbao; Wang, Kai; Lv, Chunyan; Zhang, Yujiang
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	29
Pages of publication	12895 - 12901
a	48.6981 ± 0.0016 Å
b	10.7458 ± 0.0004 Å
c	18.7001 ± 0.0007 Å
α	90°
β	104.85 ± 0.001°
γ	90°
Cell volume	9458.9 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.0979
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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