Information card for entry 7207737

Structure parameters

• Formula: C14 H8 O4
• Calculated formula: C14 H8 O4
• Title of publication: On two alizarin polymorphs
• Authors of publication: Cyrański, Michał K.; Jamróz, Michał H.; Rygula, Anna; Dobrowolski, Jan Cz.; Dobrzycki, Łukasz; Baranska, Malgorzata
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3667
• a: 8.1319 ± 0.0004 Å
• b: 3.7102 ± 0.0002 Å
• c: 16.8711 ± 0.0009 Å
• α: 90°
• β: 100.455 ± 0.005°
• γ: 90°
• Cell volume: 500.57 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No