Crystallography Open Database

Information card for entry 7060660

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Coordinates	7060660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 Cl4 N2 Ni2 O4
Calculated formula	C32 H34 Cl4 N2 Ni2 O4
Title of publication	Nickel-catalyzed C3-alkylation of indoles with alcohols via a borrowing hydrogen strategy
Authors of publication	Hu, Miao; Jiang, Yong; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan; Jin, Liqun
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	22
Pages of publication	10057 - 10062
a	13.0105 ± 0.0006 Å
b	11.6307 ± 0.0005 Å
c	21.7397 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3289.7 ± 0.2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0676
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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