Crystallography Open Database

Information card for entry 7240750

Preview

Coordinates	7240750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 N4
Calculated formula	C40 H28 N4
SMILES	n1c(c2ccccc2)c(n(c1c1ccc(cc1)C#N)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1
Title of publication	Deep insight into reasons for the mechanoluminescence phenomenon of triphenylamine-substituted imidazoles and their distinct mechano-fluorochromic behaviours
Authors of publication	Liu, Xiao-Jing; Gao, Guan-Lei; Jiang, Hao; Jia, Yan-Rong; Xia, Min
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	39
Pages of publication	23187 - 23195
a	13.9738 ± 0.0004 Å
b	9.4252 ± 0.0002 Å
c	22.9485 ± 0.0006 Å
α	90°
β	102.3 ± 0.001°
γ	90°
Cell volume	2953.07 ± 0.13 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258028 (current)	2020-10-06	cif/ Updating files of 7240750, 7240751, 7240752 Original log message: Adding full bibliography for 7240750--7240752.cif.	7240750.cif
253231	2020-06-18	cif/ Adding structures of 7240750, 7240751, 7240752 via cif-deposit CGI script.	7240750.cif