Information card for entry 2225743

Structure parameters

• Chemical name: (6<i>S</i>)-2-<i>tert</i>-Butyl-6-[(4<i>S/i>,5<i>R</i>)-3,4-dimethyl- 5-phenyloxazolidin-2-yl]phenol
• Formula: C21 H27 N O2
• Calculated formula: C21 H27 N O2
• SMILES: O1[C@H](N([C@H]([C@H]1c1ccccc1)C)C)c1cccc(c1O)C(C)(C)C
• Title of publication: (6<i>S</i>)-2-<i>tert</i>-Butyl-6-[(4<i>S</i>,5<i>R</i>)-3,4-dimethyl-5-phenyloxazolidin-2-yl]phenol
• Authors of publication: Anderson, Alexander E.; Edler, Kate L.; Parrott, II, Raleigh W.; Hitchcock, Shawn R.; Ferrence, Gregory M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o902 - o903
• a: 8.3288 ± 0.0008 Å
• b: 9.8657 ± 0.0009 Å
• c: 11.4325 ± 0.0011 Å
• α: 90°
• β: 91.667 ± 0.001°
• γ: 90°
• Cell volume: 939 ± 0.15 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0293
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes