Information card for entry 1557641

Structure parameters

• Common name: Chloroquine Diphosphate Hydrate
• Formula: C18 H32 Cl N3 O9 P2
• Calculated formula: C18 H33 Cl N3 O9.19 P2
• Title of publication: N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine. An X-Ray Diffraction Study of Chloroquine Diphosphate Hydrate
• Authors of publication: Furuseth, S.; Karlsen, J.; Mostad, A.; Romming, C.; Salmen, R.; Tonnesen, H. H.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1990
• Journal volume: 44
• Pages of publication: 741 - 745
• a: 9.719 ± 0.003 Å
• b: 16.813 ± 0.004 Å
• c: 15.659 ± 0.002 Å
• α: 90°
• β: 105.16 ± 0.02°
• γ: 90°
• Cell volume: 2469.7 ± 1 ų
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 2.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No