Crystallography Open Database

Information card for entry 7158129

Preview

Coordinates	7158129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N S Sb
Calculated formula	C30 H30 N S Sb
SMILES	[Sb]1(Sc2ccc(cc2)C(C)(C)C)c2ccccc2CN(c2ccccc2)Cc2ccccc12
Title of publication	Direct Sb‒S cross-coupling of halostibines with thiols and disulfides at room temperature
Authors of publication	Li, Wei; Li, Shan; Wang, Zixiu; Liu, Chenfu; Ye, Yifei; Chen, Yujing; Xiong, Yuyan; lei, jian
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2021
a	12.0684 ± 0.0005 Å
b	16.7181 ± 0.0007 Å
c	12.4529 ± 0.0005 Å
α	90°
β	99.279 ± 0.004°
γ	90°
Cell volume	2479.63 ± 0.18 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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