Crystallography Open Database

Information card for entry 7249720

Preview

Coordinates	7249720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H25 Cl3 N4 O2
Calculated formula	C31 H25 Cl3 N4 O2
Title of publication	Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes
Authors of publication	Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	4
Pages of publication	474 - 477
a	33.696 ± 0.007 Å
b	10.737 ± 0.002 Å
c	17.724 ± 0.004 Å
α	90°
β	115.638 ± 0.003°
γ	90°
Cell volume	5781 ± 2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.1518
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
298189 (current)	2025-03-04	cif/ Updating files of 7249718, 7249719, 7249720, 7249721 Original log message: Adding full bibliography for 7249718--7249721.cif.	7249720.cif
296983	2024-12-28	cif/ Adding structures of 7249718, 7249719, 7249720, 7249721 via cif-deposit CGI script.	7249720.cif