Crystallography Open Database

Information card for entry 4518525

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Coordinates	4518525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 N O2
Calculated formula	C22 H27 N O2
Title of publication	Chiral Allylic Amine Synthesis Enabled by the Enantioselective CpXRh(III)-Catalyzed Carboaminations of 1,3-Dienes
Authors of publication	Wu, Liexin; Xu, Huiying; Gao, Hui; Li, Liping; Chen, Weijie; Zhou, Zhi; Yi, Wei
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	4
Pages of publication	2279 - 2287
a	10.30461 ± 0.00016 Å
b	7.07541 ± 0.00011 Å
c	13.213 ± 0.0002 Å
α	90°
β	92.0022 ± 0.0014°
γ	90°
Cell volume	962.76 ± 0.03 Å³
Cell temperature	240 ± 0.1 K
Ambient diffraction temperature	240 ± 0.1 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	0.0333
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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