Crystallography Open Database

Information card for entry 7242064

7242063 << 7242064 >> 7242065

Preview

Coordinates	7242064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Br3 N6
Calculated formula	C24 H27 Br3 N6
Title of publication	Boosting activity of molecular oxygen by pyridinium-based photocatalysts for metal-free alcohol oxidation
Authors of publication	Ma, Shuai; Cui, Jing-Wang; Rao, Cai-Hui; Jia, Meng-Ze; Chen, Yun-Rui; Zhang, Jie
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	3
Pages of publication	1337 - 1343
a	16.647 ± 0.003 Å
b	16.647 ± 0.003 Å
c	7.749 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1859.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.2245
Goodness-of-fit parameter for all reflections included in the refinement	0.886
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
262669 (current)	2021-03-05	cif/ Updating files of 7242064 Original log message: Adding full bibliography for 7242064.cif.	7242064.cif
260942	2021-01-14	cif/ Adding structures of 7242064 via cif-deposit CGI script.	7242064.cif