Information card for entry 2006837

Structure parameters

• Chemical name: octaphenylcyclotetrasiloxane
• Formula: C48 H40 O4 Si4
• Calculated formula: C48 H40 O4 Si4
• SMILES: O1[Si](c2ccccc2)(O[Si](O[Si](O[Si]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Two Cyclotetrasiloxanes at 143K
• Authors of publication: Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1867 - 1869
• a: 10.6688 ± 0.0001 Å
• b: 10.7353 ± 0.0001 Å
• c: 18.8291 ± 0.0002 Å
• α: 83.323 ± 0.001°
• β: 83.735 ± 0.001°
• γ: 76.03 ± 0.001°
• Cell volume: 2071.21 ± 0.04 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: 0.0375
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.0784
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No