Crystallography Open Database

Information card for entry 7060717

Preview

Coordinates	7060717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H55 N3 O2
Calculated formula	C44 H55 N3 O2
Title of publication	Rich-Colour Mechanochromism of a Cyanostilbene Derivative with Chiral Self-Assembly
Authors of publication	Zhang, Yujian; Wen, Li; Sun, Jingwei; Li, Chengjian; Zhu, chenfei; Zhang, Xi; Wang, Zhenbo; Lv, Chunyan; Song, Qingbao
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	26
Pages of publication	11530 - 11535
a	9.3185 ± 0.0004 Å
b	11.3873 ± 0.0004 Å
c	20.1187 ± 0.0007 Å
α	86.468 ± 0.003°
β	80.778 ± 0.003°
γ	66.09 ± 0.004°
Cell volume	1926.4 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.08
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.189
Weighted residual factors for all reflections included in the refinement	0.1927
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7060717.cif
266345	2021-06-10	cif/ Adding structures of 7060717 via cif-deposit CGI script.	7060717.cif