Information card for entry 2203154

Structure parameters

• Chemical name: (2S,4S,5R)-(-)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
• Formula: C20 H25 N O2
• Calculated formula: C20 H25 N O2
• SMILES: O1[C@H](N(C)[C@@H](C)[C@H]1c1ccccc1)c1ccc(cc1)OCCC
• Title of publication: C—H···O and C—H···π(arene) interactions in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(–)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
• Authors of publication: Duffy, Marina; Gallagher, John F.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o234 - o236
• a: 9.2962 ± 0.0002 Å
• b: 8.2755 ± 0.0002 Å
• c: 11.4267 ± 0.0003 Å
• α: 90°
• β: 91.083 ± 0.0011°
• γ: 90°
• Cell volume: 878.91 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 1 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: 0.035
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes