Information card for entry 7243426

Structure parameters

• Formula: C48 H62 N4 O15
• Calculated formula: C48 H62 N4 O15
• Title of publication: Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility
• Authors of publication: Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 39
• Pages of publication: 6942 - 6951
• a: 6.5187 ± 0.0003 Å
• b: 10.9299 ± 0.0006 Å
• c: 17.6311 ± 0.0009 Å
• α: 99.531 ± 0.002°
• β: 97.444 ± 0.002°
• γ: 106.711 ± 0.002°
• Cell volume: 1165.47 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No