Information card for entry 2225776

Structure parameters

• Chemical name: 2-<i>tert</i>-Butyl-4-methyl-6-(1,3-oxazinan-1-ylmethyl)phenol
• Formula: C16 H25 N O2
• Calculated formula: C16 H25 N O2
• SMILES: Oc1c(cc(cc1C(C)(C)C)C)CN1COCCC1
• Title of publication: 2-<i>tert</i>-Butyl-4-methyl-6-(1,3-oxazinan-1-ylmethyl)phenol
• Authors of publication: Lei, Wen-Jun; Zhan, Shu-Zhong; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1030
• a: 6.474 ± 0.0007 Å
• b: 14.1928 ± 0.0013 Å
• c: 16.7914 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1542.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes