Crystallography Open Database

Information card for entry 4118448

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Structure parameters

Formula	C67 H62 F3 N4 O11 P2 Rh S
Calculated formula	C67 H62 F3 N4 O11 P2 Rh S
Title of publication	Rh(I)-Catalyzed Enantioselective Hydrogenation of α-Substituted Ethenylphosphonic Acids
Authors of publication	Kaiwu Dong; Zheng Wang; Kuiling Ding
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12474 - 12477
a	9.8201 ± 0.0003 Å
b	9.8553 ± 0.0003 Å
c	17.5142 ± 0.0006 Å
α	93.279 ± 0.002°
β	101.951 ± 0.003°
γ	97.077 ± 0.002°
Cell volume	1639.67 ± 0.09 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2207
Weighted residual factors for all reflections included in the refinement	0.2323
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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