Information card for entry 4511432

Structure parameters

• Formula: C9 H19 N O7
• Calculated formula: C9 H19 N O7
• SMILES: OC(=O)[C@H](O)[C@@H](O)C(=O)[O-].O.[NH2+]1[C@H](CCC1)C
• Title of publication: Dielectrically Controlled Enantiomeric Resolution (DCR) of (R)- and (S)-2-Methylpyrrolidine by (R,R)-Tartaric Acid
• Authors of publication: Sakurai, Rumiko; Yuzawa, Atsushi; Sakai, Kenichi; Hirayama, Noriaki
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1606
• a: 7.322 ± 0.004 Å
• b: 7.666 ± 0.005 Å
• c: 21.706 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1218.4 ± 1.2 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No