Information card for entry 2006886

Structure parameters

• Formula: C23 H30 N2 O10
• Calculated formula: C23 H30 N2 O10
• SMILES: c1(c(cc(cc1)[C@H](C[NH2+][C@H](C)Cc1ccc(OC)cc1)O)NC=O)O.OC(=O)[C@H](O)[C@@H](O)C(=O)[O-]
• Title of publication: ({-})-Formoterol, a Selective β~2~-Adrenoreceptor Agonist
• Authors of publication: Kurihara, Hiroyuki; Fujita, Shigeo; Mase, Toshiyasu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1887 - 1889
• a: 18.965 ± 0.002 Å
• b: 7.522 ± 0.002 Å
• c: 8.794 ± 0.001 Å
• α: 90°
• β: 101.13 ± 0.01°
• γ: 90°
• Cell volume: 1230.9 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.0811
• Goodness-of-fit parameter for all reflections: 1.307
• Goodness-of-fit parameter for significantly intense reflections: 1.197
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No