Information card for entry 4507713

Structure parameters

• Formula: C23.8 H28.2 Cl2 N3 O2.8
• Calculated formula: C23.8 H28.2 Cl2 N3 O2.8
• Title of publication: Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)
• Authors of publication: Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 2036
• a: 7.6794 ± 0.0002 Å
• b: 8.1951 ± 0.0002 Å
• c: 19.2697 ± 0.0004 Å
• α: 85.791 ± 0.002°
• β: 88.984 ± 0.002°
• γ: 75.052 ± 0.002°
• Cell volume: 1168.51 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No