Information card for entry 2108945

Structure parameters

• Common name: 2,9-Dichloro-quinacridone, Pigment Red 202, alpha-phase
• Chemical name: 2,9-Dichloroquino[2,3-b]acridine-7,14(5H,12H)-dione, alpha-phase
• Formula: C20 H10 Cl2 N2 O2
• Calculated formula: C20 H10 Cl2 N2 O2
• Title of publication: Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross-correlation functions
• Authors of publication: Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 2
• a: 3.7718 ± 0.0011 Å
• b: 6.4792 ± 0.0018 Å
• c: 15.774 ± 0.0049 Å
• α: 93.744 ± 0.026°
• β: 92.189 ± 0.021°
• γ: 100.918 ± 0.019°
• Cell volume: 377.2 ± 0.19 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.190794
• Goodness-of-fit parameter for all reflections: 1.135
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes