Crystallography Open Database

Information card for entry 7238034

Preview

Coordinates	7238034.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C33H31BN2O3
Formula	C33 H29 B N2 O3
Calculated formula	C33 H29 B N2 O3
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	28.0786 ± 0.0007 Å
b	9.9927 ± 0.0002 Å
c	20.671 ± 0.0004 Å
α	90°
β	104.841 ± 0.002°
γ	90°
Cell volume	5606.4 ± 0.2 Å³
Cell temperature	292.6 ± 0.6 K
Ambient diffraction temperature	292.6 ± 0.6 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0831
Weighted residual factors for significantly intense reflections	0.2603
Weighted residual factors for all reflections included in the refinement	0.2702
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238872 (current)	2019-11-24	cif/ Adding structures of 7238034 via cif-deposit CGI script.	7238034.cif