Information card for entry 7135137

Structure parameters

• Formula: C16 H11 N O3 S
• Calculated formula: C16 H11 N O3 S
• 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: 10.3033 ± 0.0002 Å
• b: 16.8149 ± 0.0004 Å
• c: 7.3464 ± 0.0001 Å
• α: 90°
• β: 92.449 ± 0.002°
• γ: 90°
• Cell volume: 1271.59 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No