Information card for entry 7150994

Structure parameters

• Formula: C16 H19 N O5 S
• Calculated formula: C16 H19 N O5 S
• SMILES: S(=O)(=O)(N1C(=O)OCC1(OC/C=C/C)C=C)c1ccc(cc1)C
• Title of publication: Gold-catalyzed intermolecular addition of alcohols toward the allenic bond of 4-vinylidene-2-oxazolidinones
• Authors of publication: Horino, Yoshikazu; Takata, Yasushi; Hashimoto, Ken; Kuroda, Shigeyasu; Kimura, Masanari; Tamaru, Yoshinao
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 22
• Pages of publication: 4105 - 4107
• a: 7.6397 ± 0.0009 Å
• b: 10.614 ± 0.001 Å
• c: 10.778 ± 0.001 Å
• α: 83.827 ± 0.008°
• β: 80.863 ± 0.009°
• γ: 79.643 ± 0.009°
• Cell volume: 846 ± 0.15 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.894
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No