Information card for entry 2229122

Structure parameters

• Chemical name: Bis(piperidin-1-yl)methanone
• Formula: C11 H20 N2 O
• Calculated formula: C11 H20 N2 O
• SMILES: O=C(N1CCCCC1)N1CCCCC1
• Title of publication: Bis(piperidin-1-yl)methanone
• Authors of publication: Betz, Richard; Gerber, Thomas; Schalekamp, Henk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o397
• a: 6.2193 ± 0.0002 Å
• b: 8.8411 ± 0.0004 Å
• c: 9.9699 ± 0.0004 Å
• α: 90°
• β: 90.791 ± 0.001°
• γ: 90°
• Cell volume: 548.15 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes