Crystallography Open Database

Information card for entry 2204669

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Structure parameters

Formula	C21 H17 O P
Calculated formula	C21 H17 O P
SMILES	P(=O)(C(=C=C)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	[1-(Diphenylphosphinoyl)propa-1,2-dienyl]benzene
Authors of publication	Wei-Ming Xu; Xiu-Rong Hu; Jian-Ming Gu
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	12
Pages of publication	o2214 - o2215
a	9.556 ± 0.0003 Å
b	15.4559 ± 0.0005 Å
c	12.0143 ± 0.0003 Å
α	90°
β	108.904 ± 0.002°
γ	90°
Cell volume	1678.76 ± 0.09 Å³
Cell temperature	296 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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