Information card for entry 2201380

Structure parameters

• Common name: Bis(L-proline) H+ nitrate
• Chemical name: Bis(L-proline) hydrogen nitrate
• Formula: C10 H19 N3 O7
• Calculated formula: C10 H19 N3 O7
• SMILES: [O-]C(=O)[C@H]1[NH2+]CCC1.O=C(O)[C@H]1[NH2+]CCC1.N(=O)(=O)[O-]
• Title of publication: Bis(<small>L</small>-proline) hydrogen nitrate
• Authors of publication: S. Pandiarajan; B. Sridhar; R. K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o862 - o864
• a: 7.2006 ± 0.0006 Å
• b: 7.711 ± 0.001 Å
• c: 24.06 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1335.9 ± 0.3 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: 0.0524
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes