Information card for entry 4507003

Structure parameters

• Formula: C17 H22 N4 O9
• Calculated formula: C17 H22 N4 O9
• Title of publication: Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts
• Authors of publication: Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 5864
• a: 13.6068 ± 0.0008 Å
• b: 21.642 ± 0.0016 Å
• c: 7.2516 ± 0.0004 Å
• α: 90°
• β: 114.749 ± 0.002°
• γ: 90°
• Cell volume: 1939.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No