Crystallography Open Database

Information card for entry 4134099

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Coordinates	4134099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H67 B Cu N3 O5
Calculated formula	C51 H67 B Cu N3 O5
Title of publication	CO<sub>2</sub> Activation by Lewis Pairs Generated Under Copper Catalysis Enables Difunctionalization of Imines.
Authors of publication	Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	4
Pages of publication	1966 - 1974
a	10.566 ± 0.0008 Å
b	17.8925 ± 0.0015 Å
c	25.953 ± 0.002 Å
α	90°
β	101.234 ± 0.003°
γ	90°
Cell volume	4812.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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