Information card for entry 2225700

Structure parameters

• Chemical name: (6<i>S</i>)-2,4-Di-<i>tert</i>-butyl-6-[(4<i>S/i>,5<i>R</i>)- 3-isopropyl-4-methyl-5-phenyloxazolidin-2-yl]phenol
• Formula: C27 H39 N O2
• Calculated formula: C27 H39 N O2
• SMILES: O1[C@H](N([C@H]([C@H]1c1ccccc1)C)C(C)C)c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O
• Title of publication: (6<i>S</i>)-2,4-Di-<i>tert</i>-butyl-6-[(4<i>S</i>,5<i>R</i>)-3-isopropyl-4-methyl-5-phenyloxazolidin-2-yl]phenol
• Authors of publication: Campbell, Ian Sean; 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: o900 - o901
• a: 18.9564 ± 0.0019 Å
• b: 6.9943 ± 0.0007 Å
• c: 18.3388 ± 0.0019 Å
• α: 90°
• β: 91.833 ± 0.002°
• γ: 90°
• Cell volume: 2430.2 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes