Information card for entry 2218916

Structure parameters

• Chemical name: 3,3-Dimethyl-1,2,3,4,6,11-hexahydrobenzo[<i>d</i>]naphtho[2,3-<i>b</i>]furan- 1,6,11-trione
• Formula: C18 H14 O4
• Calculated formula: C18 H14 O4
• SMILES: O=C1CC(C)(C)Cc2oc3c(c12)C(=O)c1c(C3=O)cccc1
• Title of publication: 3,3-Dimethyl-1,2,3,4,6,11-hexahydrobenzo[<i>d</i>]naphtho[2,3-<i>b</i>]furan-1,6,11-trione
• Authors of publication: Hu, Huayou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1534
• a: 5.808 ± 0.0012 Å
• b: 6.751 ± 0.0014 Å
• c: 18.332 ± 0.004 Å
• α: 89.82 ± 0.03°
• β: 81.32 ± 0.03°
• γ: 78.18 ± 0.03°
• Cell volume: 695.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0798
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes