Information card for entry 4023556

Structure parameters

• Formula: C18 H12 O3
• Calculated formula: C18 H12 O3
• SMILES: O1c2ccccc2C(=O)c2c1c1c(cc2)cc(OC)cc1
• Title of publication: Synthesis of Benzo[c]xanthones from 2-Benzylidene-1-tetralones by the Ultraviolet Radiation-Mediated Tandem Reaction
• Authors of publication: Wen-Zhi Xu; Zhi-Tang Huang; Qi-Yu Zheng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5606 - 5608
• a: 10.5803 ± 0.0014 Å
• b: 23.761 ± 0.003 Å
• c: 4.9298 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1239.3 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No