Crystallography Open Database

Information card for entry 7061166

Preview

Coordinates	7061166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 Br2 N2 O2
Calculated formula	C25 H18 Br2 N2 O2
SMILES	Brc1cc2c([nH]cc2C(c2c[nH]c3c2cc(Br)cc3)CC(=O)c2ccccc2O)cc1
Title of publication	Design, synthesis and evaluation of structurally diverse ortho-acylphenol-diindolylmethane hybrids as anticancer agents
Authors of publication	Yin, Zhi-Gang; Liu, Xiong-Wei; Wang, Hui-Juan; Zhang, Min; Liu, Xiong-Li; Zhou, Ying
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	3
Pages of publication	1295 - 1307
a	16.854 ± 0.002 Å
b	22.397 ± 0.002 Å
c	5.6423 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2129.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
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
272738 (current)	2022-02-04	cif/ Updating files of 7061166, 7061167 Original log message: Adding full bibliography for 7061166--7061167.cif.	7061166.cif
271597	2021-12-23	cif/ Adding structures of 7061166, 7061167 via cif-deposit CGI script.	7061166.cif