Information card for entry 2008751

Structure parameters

• Chemical name: N,N'-diphenylguanidinium (+)-L-hydrogentartrate monohydrate
• Formula: C17 H21 N3 O7
• Calculated formula: C17 H21 N3 O7
• SMILES: N(C(=[NH2+])Nc1ccccc1)c1ccccc1.C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.O
• Title of publication: <i>N</i>,<i>N</i>'-Diphenylguanidinium hydrogen (+)-<small>L</small>-tartrate monohydrate
• Authors of publication: Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Belsley, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1287 - 1290
• a: 7.066 ± 0.003 Å
• b: 14.723 ± 0.008 Å
• c: 18.219 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1895.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No