Information card for entry 2200321

Structure parameters

• Chemical name: 2-tert-Butyl-4-methyl-6-(4-piperidylmethyl)phenol
• Formula: C17 H27 N O
• Calculated formula: C17 H27 N O
• SMILES: N1(CCCCC1)Cc1c(O)c(cc(c1)C)C(C)(C)C
• Title of publication: 2-<i>tert</i>-Butyl-4-methyl-6-(4-piperidylmethyl)phenol
• Authors of publication: Xu Deng; Ya-Mei Guo; Miao Du; Ya-Yin Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o488 - o489
• a: 6.2854 ± 0.0019 Å
• b: 8.626 ± 0.003 Å
• c: 15.318 ± 0.005 Å
• α: 97.391 ± 0.006°
• β: 97.498 ± 0.006°
• γ: 100.559 ± 0.007°
• Cell volume: 799.5 ± 0.5 ų
• Cell temperature: 293 ± 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: 0.1533
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes