Information card for entry 2004861

Structure parameters

• Chemical name: Dinaphtho[2,1-b.2',3'-d]furan-8-13-dione
• Formula: C20 H10 O3
• Calculated formula: C20 H10 O3
• SMILES: c1cccc2ccc3c(c4c(C(=O)c5ccccc5C4=O)o3)c12
• Title of publication: A Naphthofuranoquinone
• Authors of publication: Farrugia, L. J.; Scott, C. F.; Peacock, R. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1310 - 1311
• a: 5.466 ± 0.001 Å
• b: 6.128 ± 0.001 Å
• c: 39.841 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1334.5 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections: 0.14
• Weighted residual factors for significantly intense reflections: 0.1016
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No