Information card for entry 7059850

Structure parameters

• Formula: C56 H44 O8
• Calculated formula: C56 H44 O8
• Title of publication: Spiro 1,3-indandiones: intramolecular photochemical reactions of carbonyl groups with carbon‒carbon double bonds
• Authors of publication: Lokshin, Vladimir; Clavier, Hervé; Khodorkovsky, Vladimir
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 14373 - 14378
• a: 20.7429 ± 0.0009 Å
• b: 19.0061 ± 0.0005 Å
• c: 11.4935 ± 0.0002 Å
• α: 90°
• β: 96.22 ± 0.003°
• γ: 90°
• Cell volume: 4504.5 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1024
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No