Information card for entry 7202513

Structure parameters

• Common name: gamma-quinacridone (Pigment Violet 19, gamma phase)
• Chemical name: 7,14-dioxo-5,7,12,14-tetrahydro-chinolino-[2,3-b]-acridin
• Formula: C20 H12 N2 O2
• Calculated formula: C20 H12 N2 O2
• SMILES: O=C1c2cc3Nc4ccccc4C(=O)c3cc2Nc2ccccc12
• Title of publication: Crystal structures of quinacridones
• Authors of publication: Paulus, Erich F.; Leusen, Frank J. J.; Schmidt, Martin U.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 131
• a: 13.697 ± 0.009 Å
• b: 3.881 ± 0.003 Å
• c: 13.402 ± 0.001 Å
• α: 90°
• β: 100.44 ± 0.01°
• γ: 90°
• Cell volume: 700.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2742
• Residual factor for significantly intense reflections: 0.209
• Weighted residual factors for significantly intense reflections: 0.425
• Weighted residual factors for all reflections included in the refinement: 0.4555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No