Crystallography Open Database

Information card for entry 4517132

Preview

Coordinates	4517132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Br2 N2 O5
Calculated formula	C36 H36 Br2 N2 O5
Title of publication	Design, Synthesis, and Anticancer Activity of Novel Trimethoxyphenyl-Derived Chalcone-Benzimidazolium Salts
Authors of publication	Yang, Jun-Li; Ma, Yong-Hui; Li, Yan-Hua; Zhang, Yi-Peng; Tian, Hong-Chang; Huang, Yuan-Cheng; Li, Yan; Chen, Wen; Yang, Li-Juan
Journal of publication	ACS Omega
Year of publication	2019
Journal volume	4
Journal issue	23
Pages of publication	20381
a	19.732 ± 0.009 Å
b	17.324 ± 0.009 Å
c	9.857 ± 0.005 Å
α	90°
β	96.091 ± 0.006°
γ	90°
Cell volume	3350 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1441
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	0.876
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
246539 (current)	2020-01-04	cif/ Updating files of 4517132 Original log message: Adding full bibliography for 4517132.cif.	4517132.cif
242182	2019-11-26	cif/ Adding structures of 4517132 via cif-deposit CGI script.	4517132.cif