Information card for entry 7251882

Structure parameters

• Common name: Mirabegron Edysilate anhydrous
• Formula: C23 H30 N4 O8 S3
• Calculated formula: C23 H30 N4 O8 S3
• Title of publication: Understanding of Mirabegron Edisylate Hydrate Conversion and Solvate Characterisation
• Authors of publication: Balogh, Margareta Cristina; Claybourn, Boe M.; Bonnaud, Thierry; Pitak, Mateusz B.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 14.902 ± 0.0002 Å
• b: 10.5108 ± 0.00012 Å
• c: 18.3869 ± 0.0002 Å
• α: 90°
• β: 112.87 ± 0.0015°
• γ: 90°
• Cell volume: 2653.57 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No