Crystallography Open Database

Information card for entry 7044588

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Structure parameters

Formula	C48 H63 Cl O2 S Si2
Calculated formula	C48 H63 Cl O2 S Si2
SMILES	Cl[Si]([Si](OS(=O)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.CCCCCC
Title of publication	Reactivity of sulfonyl-containing compounds with ditetrelenes
Authors of publication	Tashkandi, Nada Y.; Bourque, Jeremy L.; Baines, Kim M.
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.124 ± 0.003 Å
b	13.745 ± 0.003 Å
c	17.836 ± 0.005 Å
α	107.93 ± 0.02°
β	97.174 ± 0.007°
γ	98.522 ± 0.006°
Cell volume	2296.7 ± 1.1 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1223
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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