Information card for entry 7159951

Structure parameters

• Formula: C18 H20 O3 S Si
• Calculated formula: C18 H20 O3 S Si
• Title of publication: Brønsted acid-catalyzed synthesis of spirocyclobutanes <i>via</i> heteroannulation of vinyloxyphenylbicyclobutanes with water.
• Authors of publication: Takatsuki, Masaharu; Aoyama, Hiroshi; Arisawa, Mitsuhiro; Sako, Makoto
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 23
• Pages of publication: 4727 - 4731
• a: 13.1061 ± 0.0007 Å
• b: 8.2101 ± 0.0004 Å
• c: 16.7736 ± 0.0009 Å
• α: 90°
• β: 90.719 ± 0.006°
• γ: 90°
• Cell volume: 1804.74 ± 0.16 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No