Information card for entry 7204918

Structure parameters

• Common name: Phenazine mesaconic acid
• Chemical name: dibenzopyrazine trans-2-methyl-2-butenedioic acid
• Formula: C17 H14 N2 O4
• Calculated formula: C17 H14 N2 O4
• SMILES: OC(=O)C=C(C)C(=O)O.n1c2c(nc3ccccc13)cccc2
• Title of publication: Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids
• Authors of publication: Batchelor, Elaine; Klinowski, Jacek; Jones, William
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 839
• a: 26.833 ± 0.026 Å
• b: 7.095 ± 0.004 Å
• c: 19.613 ± 0.027 Å
• α: 90°
• β: 127.46 ± 0.07°
• γ: 90°
• Cell volume: 2964 ± 6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.101
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No