Information card for entry 2006434

Structure parameters

• Chemical name: (-)(R)-5,5-Dimethylmorpholinyl-2-Acetic Acid Ethyl Ester Hydrochloride
• Formula: C10 H20 Cl N O3
• Calculated formula: C10 H20 Cl N O3
• SMILES: [Cl-].O(C(=O)C[C@H]1OCC([NH2+]C1)(C)C)CC
• Title of publication: ({-})-(<i>R</i>)-5,5-Dimethylmorpholinyl-2-acetic Acid Ethyl Ester Hydrochloride, C~10~H~20~NO~3~^+^.Cl^{-^}
• Authors of publication: Frydenvang, Karla; Enna, Sam J.; Krogsgaard-Larsen, Povl
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1088 - 1091
• a: 7.393 ± 0.001 Å
• b: 8.827 ± 0.002 Å
• c: 19.907 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1299.1 ± 0.4 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No