Information card for entry 2229336

Structure parameters

• Chemical name: 1-(Piperidin-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-ol
• Formula: C17 H27 N O
• Calculated formula: C17 H27 N O
• SMILES: OC(CN1CCCCC1)Cc1c(cc(cc1C)C)C
• Title of publication: 1-(Piperidin-1-yl)-3-(2,4,6-trimethylphenyl)propan-2-ol
• Authors of publication: Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Allahverdiyev, Mirze A.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o739
• a: 11.7992 ± 0.0012 Å
• b: 8.094 ± 0.0008 Å
• c: 17.0196 ± 0.0017 Å
• α: 90°
• β: 107.489 ± 0.001°
• γ: 90°
• Cell volume: 1550.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes