Information card for entry 4072718

Structure parameters

• Chemical name: Hydrogen-(2R*,3R*,7S*,8S*)-2,3,7,8-tetramethyl-2,3,7,8-tetrakis[tris (trimethylsilyl)silyl]-5-aluminata-1,4,6,9-tetraoxa-2,3,7,8-tetrasila- spiro[4.4]nonane
• Formula: C40 H120 Al O4 Si20
• Calculated formula: C40 H120 Al O4 Si20
• SMILES: C[Si@@]1(O[Al]2(O[Si@@](C)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si@](O2)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)O[Si@]1(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis and Structure of Cyclic Aluminum Disiloxides
• Authors of publication: Krempner, C.; Reinke, H.; Weichert, K.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1386
• a: 17.864 ± 0.003 Å
• b: 17.864 ± 0.003 Å
• c: 26.009 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8300 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No