Information card for entry 7222038

Structure parameters

• Common name: hexaphenyldisiloxane
• Chemical name: di(triphenylsilane)ether
• Formula: C36 H30 O Si2
• Calculated formula: C36 H30 O Si2
• SMILES: c1(ccccc1)[Si](c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Synthesis, characterization and theoretical calculations of model compounds of silanols catalyzed by TEMPO to elucidate the presence of Si-O-Si and Si-O-N bonds.
• Authors of publication: Percino, M. Judith; Pacheco, José Alberto; Soriano, Guillermo; Ceron, Margarita; Castro, María Eugenia; Chapela, Víctor M.; bonilla-cruz, jose; Lara, Tania; Flores, Mildred; Saldivar, Enrique
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.5829 ± 0.0004 Å
• b: 9.4856 ± 0.0004 Å
• c: 10.9694 ± 0.0005 Å
• α: 95.951 ± 0.004°
• β: 111.779 ± 0.004°
• γ: 113.352 ± 0.004°
• Cell volume: 727.71 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No