Information card for entry 7249959

Structure parameters

• Chemical name: Venetoclax
• Formula: C59 H66 Cl N7 O13 S3
• Calculated formula: C59 H66 Cl N7 O13 S3
• 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: 12.1935 ± 0.0001 Å
• b: 15.7385 ± 0.0001 Å
• c: 17.4811 ± 0.0002 Å
• α: 109.48 ± 0.0009°
• β: 95.9264 ± 0.0008°
• γ: 109.261 ± 0.0009°
• Cell volume: 2898.7 ± 0.05 ų
• Cell temperature: 95 K
• Ambient diffraction temperature: 95 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: 0.0511
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections: 0.1379
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9078
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No