Crystallography Open Database

Information card for entry 4517164

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Structure parameters

Formula	C25 H29 N S
Calculated formula	C25 H29 N S
Title of publication	Diastereo- and Enantioselective CuH-Catalyzed Hydroamination of Strained Trisubstituted Alkenes
Authors of publication	Feng, Sheng; Hao, Hua; Liu, Peng; Buchwald, Stephen L.
Journal of publication	ACS Catalysis
Year of publication	2019
Pages of publication	282
a	13.0414 ± 0.0011 Å
b	5.7208 ± 0.0004 Å
c	14.1145 ± 0.0012 Å
α	90°
β	93.997 ± 0.004°
γ	90°
Cell volume	1050.48 ± 0.15 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4517164.cif
245061	2019-12-14	cif/ Adding structures of 4517164 via cif-deposit CGI script.	4517164.cif