Information card for entry 2212669

Structure parameters

• Chemical name: 7,12-epoxy-6a,6b,7,12,12a,12b-hexahydrodinaphtho[1,2-b;2,3-d]furan
• Formula: C20 H16 O2
• Calculated formula: C20 H16 O2
• SMILES: O1[C@H]2c3ccccc3C=C[C@H]2[C@H]2[C@H]3O[C@H](c4c3cccc4)[C@@H]12.O1[C@@H]2c3ccccc3C=C[C@@H]2[C@@H]2[C@@H]3O[C@@H](c4c3cccc4)[C@H]12
• Title of publication: Cyclodimerization product of benzooxanorbornadiene
• Authors of publication: Lough, Alan J.; Allen, Anna; Tam, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1462 - o1463
• a: 10.304 ± 0.0002 Å
• b: 10.97 ± 0.0003 Å
• c: 25.673 ± 0.0007 Å
• α: 86.0983 ± 0.0011°
• β: 80.6997 ± 0.0016°
• γ: 81.6392 ± 0.0015°
• Cell volume: 2830.41 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes