Information card for entry 2001178

Structure parameters

• Formula: C16 H10 O5
• Calculated formula: C16 H10 O5
• SMILES: COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O
• Title of publication: Damnacanthal
• Authors of publication: Ohsawa, Y.; Ohba, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2149 - 2151
• a: 15.834 ± 0.002 Å
• b: 9.558 ± 0.002 Å
• c: 8.216 ± 0.001 Å
• α: 90°
• β: 95.77 ± 0.01°
• γ: 90°
• Cell volume: 1237.1 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No