Information card for entry 4500975

Structure parameters

• Chemical name: phenanthridine fumaric acid 2:1
• Formula: C15 H11 N O2
• Calculated formula: C15 H11 N O2
• Title of publication: Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations
• Authors of publication: Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 4009
• a: 3.9 ± 0.001 Å
• b: 20.07 ± 0.004 Å
• c: 14.489 ± 0.003 Å
• α: 90°
• β: 97.58 ± 0.03°
• γ: 90°
• Cell volume: 1124.2 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1024
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.1681
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No