Crystallography Open Database

Information card for entry 4021573

Preview

Structure parameters

Formula	C9 H11 O P
Calculated formula	C9 H11 O P
SMILES	C[P@@](=O)(C=C)c1ccccc1
Title of publication	Practical Synthesis of Chiral Vinylphosphine Oxides by Direct Nucleophilic Substitution. Stereodivergent Synthesis of Aminophosphine Ligands
Authors of publication	Marco Oliana; Frank King; Peter N. Horton; M. B. Hursthouse; King Kuok (Mimi) Hii
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	2472 - 2479
a	10.5576 ± 0.0002 Å
b	16.3112 ± 0.0005 Å
c	10.9369 ± 0.0003 Å
α	90°
β	108.886 ± 0.002°
γ	90°
Cell volume	1782.02 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4021573.html