Crystallography Open Database

Information card for entry 4513946

Preview

Coordinates	4513946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 N O2
Calculated formula	C20 H25 N O2
SMILES	O=C(OC)c1ccc(C[C@@H](c2c(cc(N(C)C)cc2)C)C)cc1
Title of publication	Dual-Stereocontrol Asymmetric Cobalt-Catalyzed Hydroboration of Sterically Hindered Styrenes
Authors of publication	Zhang, Heyi; Lu, Zhan
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	10
Pages of publication	6596
a	9.419 ± 0.0008 Å
b	8.8409 ± 0.0005 Å
c	11.6624 ± 0.0011 Å
α	90°
β	112.966 ± 0.01°
γ	90°
Cell volume	894.18 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.0596
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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