Information card for entry 7135135

Structure parameters

• Formula: C19 H14 O5
• Calculated formula: C19 H14 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: 8.3627 ± 0.0001 Å
• b: 10.9839 ± 0.0001 Å
• c: 16.0035 ± 0.0002 Å
• α: 90°
• β: 97.525 ± 0.001°
• γ: 90°
• Cell volume: 1457.34 ± 0.03 ų
• Cell temperature: 100 ± 2 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: 0.0325
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No