Crystallography Open Database

Information card for entry 4327959

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Structure parameters

Formula	C36 H52 O3 S Si
Calculated formula	C36 H52 O3 S Si
SMILES	S[Si](Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C
Title of publication	Intramolecular Interactions in Crystals of Tris(2,6-diisopropylphenoxy)silanethiol and Its Sodium Salts
Authors of publication	Anna Dołęga; Wojciech Marynowski; Katarzyna Baranowska; Maciej Śmiechowski; Janusz Stangret
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	836 - 843
a	11.4061 ± 0.0008 Å
b	35.0837 ± 0.0009 Å
c	10.2841 ± 0.0004 Å
α	90°
β	122.677 ± 0.004°
γ	90°
Cell volume	3464 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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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