Information card for entry 7247908

Structure parameters

• Formula: C28 H40 Br F N4 O9
• Calculated formula: C28 H40 Br F N4 O9
• Title of publication: Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility
• Authors of publication: Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 248 - 260
• a: 8.913 ± 0.001 Å
• b: 12.55 ± 0.001 Å
• c: 14.54 ± 0.001 Å
• α: 100.34 ± 0.01°
• β: 96.88 ± 0.01°
• γ: 91.489 ± 0.001°
• Cell volume: 1586.6 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No