Information card for entry 2212000

Structure parameters

• Chemical name: Phenazine‒2,6-dihydroxybenzoic acid (1/1)
• Formula: C19 H14 N2 O4
• Calculated formula: C19 H14 N2 O4
• SMILES: c1ccc2c(c1)nc1c(n2)cccc1.OC(=O)c1c(O)cccc1O
• Title of publication: Phenazine‒2,6-dihydroxybenzoic acid (1/1)
• Authors of publication: Maria Gdaniec; Tadeusz Połoński
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o707 - o709
• a: 16.5921 ± 0.0018 Å
• b: 7.448 ± 0.0007 Å
• c: 25.297 ± 0.002 Å
• α: 90°
• β: 103.57 ± 0.02°
• γ: 90°
• Cell volume: 3038.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes