Information card for entry 7202512

Structure parameters

• Common name: beta-quinacridone (Pigment Violet 19, beta 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=C1c2ccccc2Nc2c1cc1Nc3ccccc3C(=O)c1c2
• 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: 5.692 ± 0.001 Å
• b: 3.975 ± 0.001 Å
• c: 30.02 ± 0.04 Å
• α: 90°
• β: 96.76 ± 0.06°
• γ: 90°
• Cell volume: 674.5 ± 0.9 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: 0.1997
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2728
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No