Information card for entry 2215698

Structure parameters

• Chemical name: 7,9-Dimethyl-3-phenylnaphtho[1,2-b]furan-4,5-dione
• Formula: C20 H14 O3
• Calculated formula: C20 H14 O3
• SMILES: c1c(c2ccccc2)c2C(=O)C(=O)c3cc(cc(c3c2o1)C)C
• Title of publication: 7,9-Dimethyl-3-phenylnaphtho[1,2-<i>b</i>]furan-4,5-dione
• Authors of publication: Shen, Yudong; Tian, Yuan-Xin; Bu, Xian-Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4125 - o4125
• a: 7.792 ± 0.002 Å
• b: 7.602 ± 0.002 Å
• c: 24.746 ± 0.007 Å
• α: 90°
• β: 93.61 ± 0.005°
• γ: 90°
• Cell volume: 1462.9 ± 0.7 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: 0.0517
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes