Information card for entry 4513987

Structure parameters

• Chemical name: 24
• Formula: C22 H24 O6
• Calculated formula: C22 H24 O6
• Title of publication: TiO2 Photocatalytic Cyclization Reactions for the Syntheses of Aryltetralones
• Authors of publication: Liu, Yuliang; Zhang, Mingfu; Tung, Chen-Ho; Wang, Yifeng
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Pages of publication: 8389
• a: 12.7894 ± 0.0009 Å
• b: 10.6893 ± 0.0007 Å
• c: 14.2151 ± 0.001 Å
• α: 90°
• β: 99.57 ± 0.001°
• γ: 90°
• Cell volume: 1916.3 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0574
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No