Information card for entry 7249957

Structure parameters

• Chemical name: Venetoclax
• Formula: C49 H55 Cl N8 O11 S
• Calculated formula: C49 H55 Cl N8 O11 S
• Title of publication: Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance
• Authors of publication: Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1816 - 1829
• a: 11.1533 ± 0.0004 Å
• b: 12.6185 ± 0.0005 Å
• c: 19.2633 ± 0.0007 Å
• α: 71.723 ± 0.003°
• β: 85.508 ± 0.003°
• γ: 73.59 ± 0.003°
• Cell volume: 2469.28 ± 0.17 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.084
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.1648
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No