Information card for entry 2014357

Structure parameters

• Chemical name: 7-chloro-4-[2-(diethylammonio)ethylamino]quinolinium bis(dihydrogenphosphate) phosphoric acid
• Formula: C15 H29 Cl N3 O12 P3
• Calculated formula: C15 H29 Cl N3 O12 P3
• SMILES: Clc1ccc2c(cc[nH+]c2c1)NCC[NH+](CC)CC.P(=O)(O)([O-])O.P(=O)(O)(O)[O-].P(=O)(O)(O)O
• Title of publication: Three 4-aminoquinolines of antimalarial interest
• Authors of publication: Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o53 - o57
• a: 11.096 ± 0.0002 Å
• b: 14.6481 ± 0.0003 Å
• c: 15.1797 ± 0.0004 Å
• α: 79.552 ± 0.001°
• β: 88.019 ± 0.001°
• γ: 72.336 ± 0.001°
• Cell volume: 2311.38 ± 0.09 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes