Information card for entry 4503237

Structure parameters

• Common name: Terbutaline sulfate 2.5 hydrate
• Chemical name: bis-[1-(3,3-dihydroxyphenyl)-2-tert-butylaminoethanol] sulfate 2.5 hydrate
• Formula: C24 H45 N2 O12.5 S
• Calculated formula: C24 H45 N2 O12.5 S
• Title of publication: Characterization of Polymorphs and Solvates of Terbutaline Sulfate
• Authors of publication: Harris, Robin K.; Hodgkinson, Paul; Larsson, Tomas; Muruganantham, Amsaveni; Ymén, Ingvar; Yufit, Dmitry S.; Zorin, Vadim
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 80
• a: 10.9566 ± 0.0004 Å
• b: 11.7848 ± 0.0004 Å
• c: 13.6136 ± 0.0004 Å
• α: 105.356 ± 0.001°
• β: 108.836 ± 0.001°
• γ: 106.107 ± 0.001°
• Cell volume: 1471.97 ± 0.09 ų
• Cell temperature: 121 ± 2 K
• Ambient diffraction temperature: 121 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No