Crystallography Open Database

Information card for entry 7237092

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Coordinates	7237092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 O5 P
Calculated formula	C20 H19 O5 P
Title of publication	Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols
Authors of publication	Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao
Journal of publication	Green Chemistry
Year of publication	2018
Journal volume	20
Journal issue	22
Pages of publication	5111
a	12.451 ± 0.0007 Å
b	18.5872 ± 0.001 Å
c	7.9138 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1831.48 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
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	0.0429
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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