Information card for entry 4321428

Structure parameters

• Formula: C50 H72 O4 Si2
• Calculated formula: C50 H72 O4 Si2
• SMILES: [Si](Oc1c2cc(C(C)(C)C)cc1Cc1c(O)c(cc(C(C)(C)C)c1)Cc1c(O[Si](C)(C)C)c(cc(c1)C(C)(C)C)Cc1c(O)c(cc(c1)C(C)(C)C)C2)(C)(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: 12.8914 ± 0.0003 Å
• b: 14.927 ± 0.0005 Å
• c: 15.1652 ± 0.0004 Å
• α: 77.293 ± 0.002°
• β: 65.019 ± 0.002°
• γ: 72.234 ± 0.002°
• Cell volume: 2505.01 ± 0.13 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 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: 0.0639
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No