Information card for entry 7135133

Structure parameters

• Formula: C20 H16 O5
• Calculated formula: C20 H16 O5
• Title of publication: Photocyclisations of o-Iodobenzyl-Indanones and Tetralones infer the Intermediacy of Triplet Aryl Cations.
• Authors of publication: Harrowven, David; Powderly, Marian; Lindup, Toby; Jackman, Edward Henry; Light, Mark E.; Legros, Julien; Chataigner, Isabelle
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 10.2969 ± 0.0002 Å
• b: 9.8246 ± 0.0002 Å
• c: 14.8656 ± 0.0003 Å
• α: 90°
• β: 93.018 ± 0.002°
• γ: 90°
• Cell volume: 1501.76 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 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: 0.037
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No