Crystallography Open Database

Information card for entry 4321430

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Structure parameters

Formula	C52 H80 O4 Si4
Calculated formula	C52 H80 O4 Si4
SMILES	[SiH](Oc1c2cc(C(C)(C)C)cc1Cc1c(O[SiH](C)C)c(cc(c1)C(C)(C)C)Cc1c(O[SiH](C)C)c(cc(c1)C(C)(C)C)Cc1c(O[SiH](C)C)c(cc(c1)C(C)(C)C)C2)(C)C
Title of publication	Yttrium Calix[4]arene Complexes. Silylation and Silylamine Elimination Reactions on Model Oxo Surfaces
Authors of publication	Reiner Anwander; Jörg Eppinger; Iris Nagl; Wolfgang Scherer; Maxim Tafipolsky; Peter Sirsch
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4713 - 4720
a	10.1774 ± 0.0002 Å
b	14.168 ± 0.0002 Å
c	18.7206 ± 0.0002 Å
α	95.8195 ± 0.0008°
β	95.5294 ± 0.0008°
γ	98.1098 ± 0.0007°
Cell volume	2641.78 ± 0.07 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1597
Weighted residual factors for all reflections included in the refinement	0.1684
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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