Information card for entry 2227375

Structure parameters

• Chemical name: 4-Phenylpiperazin-1-ium dihydrogen phosphate
• Formula: C10 H17 N2 O4 P
• Calculated formula: C10 H17 N2 O4 P
• SMILES: C1CN(CC[NH2+]1)c1ccccc1.P(=O)(O)(O)[O-]
• Title of publication: 4-Phenylpiperazin-1-ium dihydrogen phosphate
• Authors of publication: Essid, Manel; Marouani, Houda; Rzaigui, Mohamed; Al-Deyab, Salem S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2244 - o2245
• a: 6.175 ± 0.003 Å
• b: 8.276 ± 0.003 Å
• c: 24.408 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1247.4 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.1481
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: Agkα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes