Crystallography Open Database

Information card for entry 8000493

Preview

Coordinates	8000493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N5 O
Calculated formula	C19 H15 N5 O
Title of publication	Supramolecular Chirality Suppresses Molecular Chirality: Selective Chiral Recognition in Hierarchically Coassembled Pyridine-Benzimidazole Conjugates with Precise ee% Detection.
Authors of publication	Zhao, Jianjian; Zhang, Peng; Qiao, Hongwei; Hao, Aiyou; Xing, Pengyao
Journal of publication	The journal of physical chemistry letters
Year of publication	2021
Journal volume	12
Journal issue	11
Pages of publication	2912 - 2921
a	3.93525 ± 0.00014 Å
b	29.2968 ± 0.0011 Å
c	14.6279 ± 0.0006 Å
α	90°
β	95.143 ± 0.003°
γ	90°
Cell volume	1679.66 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0968
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1882
Weighted residual factors for all reflections included in the refinement	0.2079
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
263569 (current)	2021-04-04	cif/ Adding structures of 8000493 via cif-deposit CGI script.	8000493.cif