Information card for entry 1577374

Structure parameters

• Chemical name: 1-phenyl-2-oxabicyclo[2.1.1]hexan-3-one
• Formula: C11 H10 O2
• Calculated formula: C11 H10 O2
• Title of publication: Pulsed electrolysis enables unexpected lactonization of bicyclobutane carboxylic acids
• Authors of publication: Makarov, Anton S.; Yi, Liang; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 7.572 ± 0.0002 Å
• b: 5.5244 ± 0.0002 Å
• c: 20.5726 ± 0.0007 Å
• α: 90°
• β: 93.618 ± 0.001°
• γ: 90°
• Cell volume: 858.85 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No