Crystallography Open Database

Information card for entry 7241010

Preview

Coordinates	7241010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H27 N O
Calculated formula	C37 H27 N O
SMILES	c1ccccc1C(=C(c1ccccc1)c1ccccc1)c1ccc(cc1)/N=C/c1c2ccccc2ccc1O
Title of publication	Organic polymorphs based on an AEE-active tetraphenylethene salicylaldehyde Schiff-base derivative: the effect of molecular conformation on luminescence properties
Authors of publication	Liang, Chunshuang
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	48
Pages of publication	29043 - 29050
a	9.344 ± 0.0005 Å
b	12.1505 ± 0.0005 Å
c	12.603 ± 0.0005 Å
α	82.8769 ± 0.0014°
β	69.9436 ± 0.001°
γ	86.0352 ± 0.0014°
Cell volume	1333.18 ± 0.1 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.0525
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
258081 (current)	2020-10-06	cif/ Updating files of 7241010, 7241011 Original log message: Adding full bibliography for 7241010--7241011.cif.	7241010.cif
255170	2020-08-07	cif/ Adding structures of 7241010, 7241011 via cif-deposit CGI script.	7241010.cif