Information card for entry 2218460

Structure parameters

• Chemical name: 2,3-Diaminophenazine tetrahydrate
• Formula: C12 H18 N4 O4
• Calculated formula: C12 H18 N4 O4
• SMILES: n1c2c(nc3cc(N)c(cc13)N)cccc2.O.O.O.O
• Title of publication: 2,3-Diaminophenazine tetrahydrate
• Authors of publication: Li, Xiao-Feng; An, Yan; Yin, Yan-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1000
• a: 16.7593 ± 0.0018 Å
• b: 18.12 ± 0.0019 Å
• c: 4.7834 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1452.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes