Information card for entry 4022016

Structure parameters

• Formula: C20 H16 O
• Calculated formula: C20 H16 O
• SMILES: O1c2ccccc2c2ccccc2C1(C)c1ccccc1
• Title of publication: A General Synthetic Route to 6,6-Substituted-6H-dibenzo[b,d]pyrans from Dibenzofuran
• Authors of publication: Bin Wang; Minxiong Li; Shansheng Xu; Haibin Song; Baiquan Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 8291 - 8293
• a: 16.447 ± 0.003 Å
• b: 13.067 ± 0.002 Å
• c: 13.693 ± 0.002 Å
• α: 90°
• β: 101.532 ± 0.003°
• γ: 90°
• Cell volume: 2883.5 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1187
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No