Information card for entry 2008455

Structure parameters

• Chemical name: 6,11-Dihydroxy-1,4-methano-1,4,4a-tetrahydronaphthacene-5,12-dione
• Formula: C19 H14 O4
• Calculated formula: C19 H14 O4
• SMILES: Oc1c2c(c(O)c3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@@H]4C(=O)c13)C5)cccc2
• Title of publication: 6,11-Dihydroxy-1,4-methano-1,4,4a,12a-tetrahydronaphthacene-5,12-dione
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Dipakranjan Mal; Sujit Kumar Ghorai; Nirmal Kumar Hazra; Gur Dayal Nigam
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 776 - 778
• a: 10.2782 ± 0.0001 Å
• b: 11.4269 ± 0.0002 Å
• c: 13.5079 ± 0.0002 Å
• α: 96.11 ± 0.01°
• β: 99.224 ± 0.001°
• γ: 113.462 ± 0.001°
• Cell volume: 1410.87 ± 0.06 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: 0.1033
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No