Information card for entry 7249958

Structure parameters

• Chemical name: Venetoclax
• Formula: C66 H66 Cl N7.5 O13 S3
• Calculated formula: C66 H66 Cl N7.5 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: 10.8016 ± 0.0001 Å
• b: 10.8223 ± 0.0001 Å
• c: 14.0795 ± 0.0001 Å
• α: 84.7041 ± 0.0009°
• β: 83.824 ± 0.0009°
• γ: 76.704 ± 0.001°
• Cell volume: 1588.57 ± 0.02 ų
• Cell temperature: 95 K
• Ambient diffraction temperature: 95 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.1501
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0468
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No