Information card for entry 2210462

Structure parameters

• Common name: Anthraflavic acid
• Chemical name: 2,6-dihydroxyanthraquinone
• Formula: C14 H8 O4
• Calculated formula: C14 H8 O4
• Title of publication: 2,6-Dihydroxyanthraquinone: an isomer of the well known alizarin dye
• Authors of publication: dRuyck, Jérôme de; Preat, Julien; Perpète, Eric A.; Jacquemin, Denis; Wouters, Johan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4503 - o4505
• a: 13.64 ± 0.004 Å
• b: 13.64 ± 0.004 Å
• c: 6.678 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1242.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes