Information card for entry 7153835

Structure parameters

• Formula: C28 H20 O4
• Calculated formula: C28 H20 O4
• SMILES: C(=O)(c1ccccc1)c1c(O)c2c(cc1)O[C@]1(C[C@@H]2c2c(O1)cccc2)c1ccccc1.C(=O)(c1ccccc1)c1c(O)c2c(cc1)O[C@@]1(C[C@H]2c2c(O1)cccc2)c1ccccc1
• Title of publication: Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.
• Authors of publication: Xia, Likai; Cai, Hongyun; Lee, Yong Rok
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 25
• Pages of publication: 4386 - 4396
• a: 23.832 ± 0.002 Å
• b: 11.4009 ± 0.001 Å
• c: 7.7827 ± 0.0007 Å
• α: 90°
• β: 95.137 ± 0.002°
• γ: 90°
• Cell volume: 2106.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No