Information card for entry 2007568

Structure parameters

• Chemical name: 2,2,4,4,6,6-Hexaphenylcyclotrisiloxane
• Formula: C36 H30 O3 Si3
• Calculated formula: C36 H30 O3 Si3
• SMILES: c1(ccccc1)[Si]1(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1
• Title of publication: A Triclinic Polymorph of Hexaphenylcyclotrisiloxane
• Authors of publication: Ziemer, Burkhard; Backer, Michael; Auner, Norbert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1111 - 1113
• a: 12.87 ± 0.002 Å
• b: 15.06 ± 0.002 Å
• c: 16.575 ± 0.002 Å
• α: 84.07 ± 0.02°
• β: 84.122 ± 0.015°
• γ: 77.77 ± 0.02°
• Cell volume: 3112.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.051
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.091
• Goodness-of-fit parameter for all reflections: 0.932
• Goodness-of-fit parameter for significantly intense reflections: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No