Information card for entry 1100226

Structure parameters

• Chemical name: (Z)-5-Cyclohexyl-4-(1-(2,2-dimethylpropylidene))-5-ethoxy-1,3-oxazolidin-2-one
• Formula: C16 H27 N O3
• Calculated formula: C16 H27 N O3
• SMILES: N1C(=O)OC(/C1=C/C(C)(C)C)(OCC)C1CCCCC1
• Title of publication: Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones
• Authors of publication: Bach, Thorsten; Schlummer, Björn; Harms, Klaus
• Journal of publication: Chemistry - A European Journal
• Year of publication: 2001
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2581 - 2594
• a: 9.3539 ± 0.0008 Å
• b: 9.4338 ± 0.0006 Å
• c: 10.2406 ± 0.0005 Å
• α: 91.805 ± 0.006°
• β: 104.889 ± 0.007°
• γ: 109.986 ± 0.006°
• Cell volume: 813.611 ų
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 5.71
• Weighted residual factors for significantly intense reflections: 5.71
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No