Crystallography Open Database

Information card for entry 4133053

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Coordinates	4133053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H84 N4 O4
Calculated formula	C76 H84 N4 O4
Title of publication	Ni-Catalyzed Enantioselective Reductive Diarylation of Activated Alkenes by Domino Cyclization/Cross-Coupling.
Authors of publication	Wang, Kuai; Ding, Zhengtian; Zhou, Zhijun; Kong, Wangqing
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	39
Pages of publication	12364 - 12368
a	9.0808 ± 0.0003 Å
b	14.9109 ± 0.0004 Å
c	12.3558 ± 0.0004 Å
α	90°
β	106.119 ± 0.002°
γ	90°
Cell volume	1607.24 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0478
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1074
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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