Information card for entry 2205762

Structure parameters

• Chemical name: Diphenylguanidinium-monohydrogen-oxalate (1/1)
• Formula: C15 H15 N3 O4
• Calculated formula: C15 H15 N3 O4
• SMILES: [O-]C(=O)C(=O)O.N(c1ccccc1)C(=[NH2+])Nc1ccccc1
• Title of publication: Diphenylguanidinium hydrogen oxalate
• Authors of publication: Mao-Lin Hu; Wei-Dong Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1408 - o1410
• a: 15.315 ± 0.007 Å
• b: 5.573 ± 0.003 Å
• c: 17.487 ± 0.008 Å
• α: 90°
• β: 99.863 ± 0.009°
• γ: 90°
• Cell volume: 1470.5 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.105
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No