Information card for entry 4509601

Structure parameters

• Common name: ASA_05PIPERAZINE
• Formula: C18 H24 N4 O6
• Calculated formula: C18 H24 N4 O6
• Title of publication: Crystal Forms of the Antibiotic 4-Aminosalicylic Acid: Solvates and Molecular Salts with Dioxane, Morpholine, and Piperazine
• Authors of publication: André, Vânia; Braga, Dario; Grepioni, Fabrizia; Duarte, M. Teresa
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 5108
• a: 10.401 ± 0.004 Å
• b: 8.426 ± 0.002 Å
• c: 20.995 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1840 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.1961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No