Information card for entry 4021680

Structure parameters

• Formula: C34 H36 O4
• Calculated formula: C34 H36 O4
• SMILES: O1[C@H]([C@H](O)c2ccccc2)c2c(C1(C)C)cccc2.O1[C@@H]([C@@H](O)c2ccccc2)c2c(C1(C)C)cccc2.O1[C@@H]([C@@H](O)c2ccccc2)c2c(C1(C)C)cccc2.O1[C@H]([C@H](O)c2ccccc2)c2c(C1(C)C)cccc2
• Title of publication: Synthesis of 1,3-Dihydrobenzo[c]furans from Ortho-Lithiated Aryloxiranes
• Authors of publication: Vito Capriati; Saverio Florio; Renzo Luisi; Filippo M. Perna; Antonio Salomone
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 3984 - 3987
• a: 9.909 ± 0.0002 Å
• b: 13.439 ± 0.0002 Å
• c: 22.069 ± 0.0004 Å
• α: 90°
• β: 93.59 ± 0.0007°
• γ: 90°
• Cell volume: 2933.1 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1131
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2571
• Weighted residual factors for all reflections included in the refinement: 0.2771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No