Information card for entry 2201952

Structure parameters

• Formula: C13 H16 N2 O4
• Calculated formula: C13 H16 N2 O4
• SMILES: C1(CCN(CC1)C)OC(=O)c1ccc(cc1)N(=O)=O
• Title of publication: <i>N</i>-Methyl-4-piperidyl <i>p</i>-nitrobenzoate at 130K
• Authors of publication: Laura Andrau; Jonathan White
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o77 - o79
• a: 6.3348 ± 0.0008 Å
• b: 7.697 ± 0.001 Å
• c: 13.9423 ± 0.0018 Å
• α: 99.03 ± 0.002°
• β: 92.142 ± 0.002°
• γ: 97.528 ± 0.003°
• Cell volume: 664.43 ± 0.15 ų
• Cell temperature: 130 ± 0.2 K
• Ambient diffraction temperature: 130 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes