Crystallography Open Database

Information card for entry 1571405

Preview

Coordinates	1571405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 Br0.97 N O3
Calculated formula	C15 H11 Br0.9689 N O3
Title of publication	Pnictogen bonding in imide derivatives for chiral folding and self-assembly.
Authors of publication	Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	18
Pages of publication	6924 - 6933
a	7.3573 ± 0.0004 Å
b	8.0361 ± 0.0006 Å
c	21.7154 ± 0.0013 Å
α	90°
β	93.798 ± 0.006°
γ	90°
Cell volume	1281.08 ± 0.14 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	5
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	0.0829
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.171
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292912 (current)	2024-07-05	cif/ Updating files of 1571402, 1571403, 1571404, 1571405, 1571406 Original log message: Adding full bibliography for 1571402--1571406.cif.	1571405.cif
291100	2024-04-06	cif/ Adding structures of 1571402, 1571403, 1571404, 1571405, 1571406 via cif-deposit CGI script.	1571405.cif