Information card for entry 2005134

Structure parameters

• Common name: 3-(tert-butyl)-4-methyl-2-phenyl-3-[(trimethylsilyl)oxy]oxetane
• Chemical name: 3-(1,1-dimethylethyl)-4-methyl-2-phenyl-3-[(trimethylsilyl)oxy]oxacyclobutane
• Formula: C17 H28 O2 Si
• Calculated formula: C17 H28 O2 Si
• SMILES: [Si](O[C@@]1([C@@H](O[C@@H]1C)c1ccccc1)C(C)(C)C)(C)(C)C.[Si](O[C@]1([C@H](O[C@H]1C)c1ccccc1)C(C)(C)C)(C)(C)C
• Title of publication: 3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane
• Authors of publication: Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1722 - 1725
• a: 8.699 ± 0.001 Å
• b: 26.465 ± 0.001 Å
• c: 7.769 ± 0.001 Å
• α: 90°
• β: 95.23 ± 0.01°
• γ: 90°
• Cell volume: 1781.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.181
• Weighted residual factors for significantly intense reflections: 0.163
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No