Crystallography Open Database

Information card for entry 4349146

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Structure parameters

Formula	C22 H30 N O2 P
Calculated formula	C22 H30 N O2 P
SMILES	P(=O)(C(=O)NC(C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Potassium-Mediated Hydrophosphorylation of Heterocumulenes with Diarylphosphane Oxide and Sulfide.
Authors of publication	Härling, Stephan M; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10741 - 10750
a	12.504 ± 0.0003 Å
b	13.0411 ± 0.0004 Å
c	14.452 ± 0.0004 Å
α	95.199 ± 0.001°
β	92.364 ± 0.001°
γ	117.618 ± 0.001°
Cell volume	2070.24 ± 0.1 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.162
Weighted residual factors for all reflections included in the refinement	0.1785
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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