Information card for entry 2209600

Structure parameters

• Chemical name: 1,1-Bis(tert-butylamido)-3,3,5,5-tetraphenylcyclotrisiloxane
• Formula: C32 H40 N2 O3 Si3
• Calculated formula: C32 H40 N2 O3 Si3
• SMILES: [Si]1(O[Si](O[Si](O1)(NC(C)(C)C)NC(C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 1,1-Bis(<i>tert</i>-butylamido)-3,3,5,5-tetraphenylcyclotrisiloxane
• Authors of publication: Copsey, May C.; Balakrishna, Maravanji S.; Chivers, Tristram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2813 - o2814
• a: 10.246 ± 0.002 Å
• b: 15.759 ± 0.003 Å
• c: 20.087 ± 0.004 Å
• α: 90°
• β: 92.94 ± 0.03°
• γ: 90°
• Cell volume: 3239.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes