Crystallography Open Database

Information card for entry 7159826

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Coordinates	7159826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H26 N2 O6 S3
Calculated formula	C27 H26 N2 O6 S3
Title of publication	Cobalt-catalyzed amination of aziridines and azetidines toward 1,2- and 1,3-diamines.
Authors of publication	Cheng, Ling-Chao; Wang, Zhihua; He, Xinglei; Liang, Wangfu; Ye, Ke-Yin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	13
Pages of publication	2554 - 2557
a	10.094 ± 0.004 Å
b	10.648 ± 0.006 Å
c	13.883 ± 0.009 Å
α	73.3 ± 0.03°
β	70.165 ± 0.018°
γ	72.632 ± 0.017°
Cell volume	1310.5 ± 1.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.2768
Weighted residual factors for all reflections included in the refinement	0.3043
Goodness-of-fit parameter for all reflections included in the refinement	1.415
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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