Crystallography Open Database

Information card for entry 8000492

Preview

Coordinates	8000492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N5 O
Calculated formula	C23 H21 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	9.9272 ± 0.0003 Å
b	22.2895 ± 0.0004 Å
c	10.1168 ± 0.0003 Å
α	90°
β	118.872 ± 0.004°
γ	90°
Cell volume	1960.32 ± 0.12 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.1805
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
263568 (current)	2021-04-04	cif/ Adding structures of 8000492 via cif-deposit CGI script.	8000492.cif