Information card for entry 2004454

Structure parameters

• Common name: Terbutaline hemisulfate
• Chemical name: 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol hemisulfate.
• Formula: C12 H20 N O5 S0.5
• Calculated formula: C12 H20 N O5 S0.5
• Title of publication: A β-Adrenergic Agonist: Protonated Terbutaline Hemisulfate
• Authors of publication: Sengupta, R.; Dattagupta, J. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 162 - 164
• a: 9.968 ± 0.002 Å
• b: 11.207 ± 0.004 Å
• c: 13.394 ± 0.001 Å
• α: 100.86 ± 0.01°
• β: 104.42 ± 0.02°
• γ: 101.63 ± 0.01°
• Cell volume: 1373.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0868
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections: 0.2858
• Weighted residual factors for significantly intense reflections: 0.2326
• Goodness-of-fit parameter for all reflections: 0.856
• Goodness-of-fit parameter for significantly intense reflections: 0.863
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No