Information card for entry 7243431

Structure parameters

• Chemical name: QN HCl 2H2O
• Formula: C20 H29 Cl N2 O4
• Calculated formula: C20 H29 Cl N2 O4
• SMILES: [Cl-].O[C@H](c1ccnc2ccc(OC)cc12)[C@H]1[NH+]2CC[C@@H](C1)[C@H](C2)C=C.O.O
• Title of publication: Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs
• Authors of publication: Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 39
• Pages of publication: 6843 - 6847
• a: 6.7848 ± 0.0003 Å
• b: 10.6171 ± 0.0005 Å
• c: 15.4805 ± 0.0008 Å
• α: 98.689 ± 0.002°
• β: 97.586 ± 0.002°
• γ: 108.323 ± 0.002°
• Cell volume: 1027.12 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No