Information card for entry 2231558

Structure parameters

• Chemical name: 1-(<i>tert</i>-Butoxycarbonyl)piperidine-4-carboxylic acid
• Formula: C11 H19 N O4
• Calculated formula: C11 H19 N O4
• SMILES: O=C(OC(C)(C)C)N1CCC(CC1)C(=O)O
• Title of publication: 1-(<i>tert</i>-Butoxycarbonyl)piperidine-4-carboxylic acid
• Authors of publication: Fun, Hoong-Kun; Arshad, Suhana; Dinesh; Vivek, S.; Nagaraja, G. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2215
• a: 10.7006 ± 0.0003 Å
• b: 6.5567 ± 0.0002 Å
• c: 17.9297 ± 0.0006 Å
• α: 90°
• β: 104.564 ± 0.002°
• γ: 90°
• Cell volume: 1217.54 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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 all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes