Information card for entry 7059849

Structure parameters

• Formula: C28 H22 O4
• Calculated formula: C28 H22 O4
• 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: 20.9397 ± 0.001 Å
• b: 5.4322 ± 0.0002 Å
• c: 19.3737 ± 0.0011 Å
• α: 90°
• β: 99.981 ± 0.005°
• γ: 90°
• Cell volume: 2170.38 ± 0.18 ų
• Cell temperature: 293 ± 2 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: 0.0725
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No