Information card for entry 7159905

Structure parameters

• Formula: C25 H15 Cl O2
• Calculated formula: C25 H15 Cl O2
• Title of publication: BBr3-Mediated Dearomatizative Spirocyclization of Biaryl Ynones: Facile Access to Spiro[5.5]dienones
• Authors of publication: Jaiswal, Gaurav; Pan, Subhas Chandra
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 16.591 ± 0.01 Å
• b: 7.19 ± 0.004 Å
• c: 15.695 ± 0.009 Å
• α: 90°
• β: 93.373 ± 0.017°
• γ: 90°
• Cell volume: 1869 ± 1.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 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: 0.0576
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No