Information card for entry 2007118

Structure parameters

• Chemical name: (1R)-1-[(2R,4R,5S)-5-Phenyl-3-(toluene-4-sulfonyl)-oxazolidin-2-yl] -indan-2-one
• Formula: C26 H25 N O4 S
• Calculated formula: C26 H25 N O4 S
• SMILES: O1[C@H]([C@@H]2C(=O)Cc3ccccc23)N(S(=O)(=O)c2ccc(C)cc2)[C@H](C)[C@H]1c1ccccc1
• Title of publication: (1<i>R</i>)-1-[(2<i>R</i>,4<i>R</i>,5<i>S</i>)-4-Methyl-5-phenyl-3-tosyl-1,3-oxazolidin-2-yl]indan-2-one
• Authors of publication: Berger, Bernd; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: IUC9800006
• a: 12.335 ± 0.003 Å
• b: 14.052 ± 0.001 Å
• c: 13.492 ± 0.003 Å
• α: 90°
• β: 91.68 ± 0.01°
• γ: 90°
• Cell volume: 2337.6 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes