Crystallography Open Database

Information card for entry 4110565

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Structure parameters

Formula	C41 H36 O4 P2
Calculated formula	C41 H36 O4 P2
SMILES	P(=O)(c1cccc2O[C@@H](C[C@H](Oc3c(c12)c(P(=O)(c1ccccc1)c1ccccc1)ccc3)C)C)(c1ccccc1)c1ccccc1
Title of publication	A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions
Authors of publication	Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	5955 - 5965
a	10.9522 ± 0.0013 Å
b	12.8449 ± 0.0015 Å
c	13.4477 ± 0.0015 Å
α	85.608 ± 0.003°
β	84.918 ± 0.003°
γ	69.34 ± 0.002°
Cell volume	1761.1 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1332
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1776
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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