Information card for entry 2005135

Structure parameters

• Common name: 2-(2-Benzyloxyphenyl)-3-(tert-butyl)-3-[(trimethylsilyl)oxy]oxetane
• Chemical name: 2-(2-benzyloxyphenyl)-3-(1,1-dimethylethyl)-3-[(trimethylsilyl)oxy]- oxacyclobutane
• Formula: C23 H32 O3 Si
• Calculated formula: C23 H32 O3 Si
• SMILES: [Si](O[C@@]1([C@@H](OC1)c1c(OCc2ccccc2)cccc1)C(C)(C)C)(C)(C)C.[Si](O[C@]1([C@H](OC1)c1c(OCc2ccccc2)cccc1)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: 14.701 ± 0.002 Å
• b: 10.153 ± 0.001 Å
• c: 15.42 ± 0.002 Å
• α: 90°
• β: 96.26 ± 0.01°
• γ: 90°
• Cell volume: 2287.9 ± 0.5 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: 0.072
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.147
• Weighted residual factors for significantly intense reflections: 0.123
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No