Crystallography Open Database

Information card for entry 1549408

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Coordinates	1549408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H88 Co N8 O8
Calculated formula	C112 H88 Co N8 O8
Title of publication	Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.
Authors of publication	Wen, Xin; Wang, Yong; Zhang, X. Peter
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	22
Pages of publication	5082 - 5086
a	12.7206 ± 0.0003 Å
b	36.0918 ± 0.0007 Å
c	22.8341 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	10483.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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