Crystallography Open Database

Information card for entry 1561182

Preview

Coordinates	1561182.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	IM-1
Formula	C98 H124 Cl2 O17 Te2
Calculated formula	C98 H124 Cl2 O17 Te2
Title of publication	A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone
Authors of publication	Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	16
Pages of publication	5811 - 5817
a	37.942 ± 0.002 Å
b	17.3698 ± 0.0011 Å
c	29.2185 ± 0.0018 Å
α	90°
β	105.56 ± 0.002°
γ	90°
Cell volume	18550.6 ± 1.9 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1331
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2282
Weighted residual factors for all reflections included in the refinement	0.2711
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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