Information card for entry 2005137

Structure parameters

• Common name: Solvent Violet 13, Disperse Blue 72
• Chemical name: 1-hydroxy-4-[(4-methylphenyl)amino]-9,10-anthracenedione
• Formula: C21 H15 N O3
• Calculated formula: C21 H15 N O3
• Title of publication: Phase Transition and Expected Non-Linear Polarizability of 1-Hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone
• Authors of publication: Yatsenko, A. V.; Zhukov, S. G.; Medvedev, S. V.; Stalnaya, T. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1853 - 1856
• a: 3.916 ± 0.0008 Å
• b: 15.019 ± 0.003 Å
• c: 26.479 ± 0.005 Å
• α: 90°
• β: 94.83 ± 0.02°
• γ: 90°
• Cell volume: 1551.8 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.0692
• Goodness-of-fit parameter for all reflections: 0.888
• Goodness-of-fit parameter for significantly intense reflections: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No