Crystallography Open Database

Information card for entry 4135364

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Structure parameters

Formula	C20 H26 N O2 P
Calculated formula	C20 H26 N O2 P
SMILES	[P@@](=O)(CCC(=O)N(C)C)(c1ccccc1)c1c(cc(cc1C)C)C
Title of publication	Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.
Authors of publication	Li, Yan-Bo; Tian, Hu; Yin, Liang
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	47
Pages of publication	20098 - 20106
a	7.9196 ± 0.0003 Å
b	8.505 ± 0.0004 Å
c	27.304 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1839.09 ± 0.14 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.99 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	0.0613
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4135364.cif
259521	2020-12-04	cif/ Updating files of 4135364, 4135365, 4135366 Original log message: Adding full bibliography for 4135364--4135366.cif.	4135364.cif
259123	2020-11-13	cif/ Adding structures of 4135364 via cif-deposit CGI script.	4135364.cif