Crystallography Open Database

Information card for entry 4120301

4120300 << 4120301 >> 4120302

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Structure parameters

Formula	C32 H39 N2 O P
Calculated formula	C32 H39 N2 O P
SMILES	P1(=O)N(CCN1[C@@H](c1c2ccccc2ccc1)C(C)(C)C)[C@@H](c1c2ccccc2ccc1)C(C)(C)C
Title of publication	Diaminophosphine Oxide Ligand Enabled Asymmetric Nickel-Catalyzed Hydrocarbamoylations of Alkenes
Authors of publication	Pavel A. Donets; Nicolai Cramer
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	11772 - 11775
a	6.9167 ± 0.0001 Å
b	16.1463 ± 0.0003 Å
c	25.1508 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2808.82 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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