Information card for entry 4022020

Structure parameters

• Formula: C25 H16 O
• Calculated formula: C25 H16 O
• 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: 8.6562 ± 0.0015 Å
• b: 8.6562 ± 0.0015 Å
• c: 22.961 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1720.5 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No