Information card for entry 7204917

Structure parameters

• Common name: Phenazine fumaric acid
• Chemical name: dibenzopyrazine trans-2-butenedioc acid
• Formula: C16 H12 N2 O4
• Calculated formula: C16 H12 N2 O4
• SMILES: c1cc2nc3c(cccc3)nc2cc1.C(=C\C(=O)O)/C(=O)O
• 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: 5.3361 ± 0.0006 Å
• b: 8.765 ± 0.0008 Å
• c: 14.952 ± 0.001 Å
• α: 90°
• β: 98.871 ± 0.008°
• γ: 90°
• Cell volume: 690.95 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No