Crystallography Open Database

Information card for entry 7159887

Preview

Coordinates	7159887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 O2 P
Calculated formula	C21 H19 O2 P
SMILES	c1(ccccc1)P(=O)(c1ccccc1)C(=C)c1ccc(cc1)OC
Title of publication	Synthesis of alkenylphosphine oxides <i>via</i> Tf<sub>2</sub>O promoted addition-elimination of ketones and secondary phosphine oxides.
Authors of publication	Ma, Jiangkai; Wang, Lianjie; Qiao, Anjiang; Li, Zhongxian; Zhao, Fengqian; Wu, Junliang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	18
Pages of publication	3592 - 3596
a	24.242 ± 0.018 Å
b	8.394 ± 0.004 Å
c	17.127 ± 0.012 Å
α	90°
β	99.39 ± 0.04°
γ	90°
Cell volume	3438 ± 4 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 K
Number of distinct elements	4
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	0.0579
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
293265 (current)	2024-07-05	cif/ Updating files of 7159887 Original log message: Adding full bibliography for 7159887.cif.	7159887.cif
291155	2024-04-10	cif/ Adding structures of 7159887 via cif-deposit CGI script.	7159887.cif