Crystallography Open Database

Information card for entry 1561183

Preview

Coordinates	1561183.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Te-Ox
Formula	C84 H116 O16 Te2
Calculated formula	C84 H116 O16 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	39.1328 ± 0.0011 Å
b	20.3253 ± 0.0007 Å
c	29.544 ± 0.0008 Å
α	90°
β	136.459 ± 0.001°
γ	90°
Cell volume	16187.8 ± 0.9 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.0719
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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