Information card for entry 2217717

Structure parameters

• Common name: nordamnacanthal
• Chemical name: 1,3-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde
• Formula: C15 H8 O5
• Calculated formula: C15 H8 O5
• SMILES: O=C1c2c(C(=O)c3c1cc(O)c(c3O)C=O)cccc2
• Title of publication: 1,3-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carbaldehyde
• Authors of publication: Awang, Khalijah; Ismail, Nor Hadiani; Ahmad, Rohaya; Saidan, Nor Hafizoh; Retailleau, Pascal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o597
• a: 10.547 ± 0.002 Å
• b: 5.669 ± 0.001 Å
• c: 20.231 ± 0.003 Å
• α: 90°
• β: 110.62 ± 0.04°
• γ: 90°
• Cell volume: 1132.1 ± 0.5 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: 0.081
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes