Crystallography Open Database

Information card for entry 7247829

Preview

Coordinates	7247829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H25 O P
Calculated formula	C28 H25 O P
SMILES	P(=O)(/C(=C/c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1
Title of publication	Direct air-induced arylphosphinoyl radicals for the synthesis of benzo[b]phosphole oxides
Authors of publication	Huang, Mingqing; Huang, Haiyang; You, Mengyao; Zhang, Xinxin; Sun, Longgen; Chen, Chao; Mei, Zhichao; Yang, Ruchun; Xiao, Qiang
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	1
Pages of publication	295 - 299
a	13.961 ± 0.002 Å
b	9.9168 ± 0.0016 Å
c	21.452 ± 0.003 Å
α	90°
β	106.577 ± 0.003°
γ	90°
Cell volume	2846.6 ± 0.7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1132
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	0.836
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
289563 (current)	2024-02-04	cif/ Updating files of 7247828, 7247829 Original log message: Adding full bibliography for 7247828--7247829.cif.	7247829.cif
288026	2023-12-05	cif/ Adding structures of 7247828, 7247829 via cif-deposit CGI script.	7247829.cif