Information card for entry 4504193

Structure parameters

• Common name: 2,3-Phenazinediamine tetrahydrated
• Chemical name: 2,3-Phenazinediamine tetrahydrated
• Formula: C12 H18 N4 O4
• Calculated formula: C12 H18 N4 O4
• SMILES: O.O.O.O.n1c2ccccc2nc2cc(N)c(N)cc12
• Title of publication: Role of Nonbonding Interactions in the Crystal Growth of Phenazinediamine Tetrahydrate: New Insights into the Occurrence of 2D Water Layers in Crystal Hydrates
• Authors of publication: Upreti, Shailesh; Datta, Ayan; Ramanan, Arunachalam
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 966
• a: 16.7786 ± 0.0014 Å
• b: 18.1213 ± 0.0015 Å
• c: 4.7826 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1454.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No