Crystallography Open Database

Information card for entry 7060801

Preview

Coordinates	7060801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 N4 O2
Calculated formula	C54 H46 N4 O2
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	9.664 ± 0.0005 Å
b	9.9563 ± 0.0005 Å
c	11.7006 ± 0.0006 Å
α	106.265 ± 0.002°
β	99.813 ± 0.002°
γ	97.972 ± 0.002°
Cell volume	1044.05 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0631
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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