Information card for entry 2102963

Structure parameters

• Common name: Quinacridone
• Formula: C20 H12 N2 O2
• Calculated formula: C20 H12 D N2 O2
• Title of publication: Rietveld refinement of a wrong crystal structure
• Authors of publication: Buchsbaum, Christian; Schmidt, Martin U.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: 926 - 932
• a: 6.6661 ± 0.001 Å
• b: 3.868 ± 0.0005 Å
• c: 27.386 ± 0.005 Å
• α: 90°
• β: 100.58 ± 0.02°
• γ: 90°
• Cell volume: 694.13 ± 0.19 ų
• 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
• Goodness-of-fit parameter for all reflections: 9.94
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No