Information card for entry 2225898

Structure parameters

• Common name: 4-Hydroxymethyl-piperidine-2,6-dicarboxylic acid dimethyl ester
• Chemical name: Dimethyl <i>cis</i>-4-hydroxymethylpiperidine-2,6-dicarboxylate
• Formula: C10 H17 N O5
• Calculated formula: C10 H17 N O5
• SMILES: N1[C@@H](C(=O)OC)CC(C[C@H]1C(=O)OC)CO
• Title of publication: Dimethyl <i>cis</i>-4-hydroxymethylpiperidine-2,6-dicarboxylate
• Authors of publication: Hartung, Jens; Stapf, Georg; Bergsträsser, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1013
• a: 9.1403 ± 0.0004 Å
• b: 7.9153 ± 0.0003 Å
• c: 16.0199 ± 0.0006 Å
• α: 90°
• β: 90.503 ± 0.004°
• γ: 90°
• Cell volume: 1158.97 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes