Information card for entry 4084628

Structure parameters

• Formula: C22 H28 O7 Si3
• Calculated formula: C22 H28 O7 Si3
• Title of publication: Acid-Catalyzed Condensation Reaction of Phenylsilanetriol: Unexpected Formation ofcis,trans-1,3,5-Trihydroxy-1,3,5-triphenylcyclotrisiloxane as the Main Product and Its Isolation
• Authors of publication: Yagihashi, Fujio; Igarashi, Masayasu; Nakajima, Yumiko; Ando, Wataru; Sato, Kazuhiko; Yumoto, Yoshiyuki; Matsui, Chinami; Shimada, Shigeru
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6278
• a: 6.37 ± 0.005 Å
• b: 17.942 ± 0.005 Å
• c: 21.769 ± 0.005 Å
• α: 90°
• β: 92.181 ± 0.005°
• γ: 90°
• Cell volume: 2486 ± 2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No