Information card for entry 2008165

Structure parameters

• Chemical name: 2-(2,3,4,5)-tetrahydro-3-methylen-2-oxo-5-phenyl-furan-5-yl)- 1,3-oxazolidine
• Formula: C28 H27 N O5 S
• Calculated formula: C28 H27 N O5 S
• SMILES: O1[C@@](C)([C@@]2(CC(=C)C(=O)O2)c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1
• Title of publication: Three 3-arylsulfonyl-1,3-oxazolidines
• Authors of publication: Bolte, Michael; Monz, Sabine; Wagner, Kerstin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 222 - 226
• a: 11.054 ± 0.001 Å
• b: 14.824 ± 0.003 Å
• c: 15.25 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.9 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.03
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.081
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes