Information card for entry 2219807

Structure parameters

• Chemical name: 2-Formyl-3-hydroxy-9,10-anthroquinone
• Formula: C15 H8 O4
• Calculated formula: C15 H8 O4
• SMILES: O=Cc1c(O)cc2C(=O)c3ccccc3C(=O)c2c1
• Title of publication: 2-Formyl-3-hydroxy-9,10-anthroquinone
• Authors of publication: Ismail, Nor Hadiani; Osman, Che Puteh; Awang, Khalijah; Abdul Malek, Sri Nurestri; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2164
• a: 6.9194 ± 0.0002 Å
• b: 8.065 ± 0.0002 Å
• c: 10.7601 ± 0.0003 Å
• α: 86.25 ± 0.002°
• β: 83.214 ± 0.002°
• γ: 64.692 ± 0.002°
• Cell volume: 538.96 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1003
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.3327
• Weighted residual factors for all reflections included in the refinement: 0.3433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes