Information card for entry 4022021

Structure parameters

• Formula: C22 H24 O2
• Calculated formula: C22 H24 O2
• SMILES: Oc1ccccc1c1ccccc1C1(O)C2CC3CC(C2)CC1C3
• 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: 19.51 ± 0.003 Å
• b: 18.79 ± 0.003 Å
• c: 11.821 ± 0.002 Å
• α: 90°
• β: 126.895 ± 0.002°
• γ: 90°
• Cell volume: 3465.7 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No