Crystallography Open Database

Information card for entry 7238035

Preview

Coordinates	7238035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H37 B N2 O2
Calculated formula	C37 H37 B N2 O2
Title of publication	Phenanthroimidazole derivatives with minor structural differences: crystalline polymorphisms, different molecular packing, and totally different mechanoluminescence
Authors of publication	Yu, Yun; Fan, Yuanyuan; Wang, Can; Wei, Yao; Liao, Qiuyan; Li, Qianqian; Li, Zhen
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	44
Pages of publication	13759
a	10.253 ± 0.0019 Å
b	10.807 ± 0.002 Å
c	14.406 ± 0.003 Å
α	77.441 ± 0.003°
β	89.437 ± 0.003°
γ	80.778 ± 0.003°
Cell volume	1537.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1771
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
238874 (current)	2019-11-24	cif/ Adding structures of 7238035 via cif-deposit CGI script.	7238035.cif