Information card for entry 4500874

Structure parameters

• Formula: C46 H86 N6 O12.5
• Calculated formula: C46 H86 N6 O12.5
• Title of publication: First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β
• Authors of publication: André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3703
• a: 6.578 ± 0.003 Å
• b: 12.104 ± 0.005 Å
• c: 16.729 ± 0.007 Å
• α: 97.92 ± 0.15°
• β: 94.76 ± 0.16°
• γ: 91.32 ± 0.16°
• Cell volume: 1313.9 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No