Information card for entry 1504010

Structure parameters

• Formula: C18 H23 N O6
• Calculated formula: C18 H23 N O6
• SMILES: C(=O)([C@@]([C@H](C(C)C)OC(=O)c1ccc(cc1)N(=O)=O)(CC=C)C)OC.C(=O)([C@]([C@@H](C(C)C)OC(=O)c1ccc(cc1)N(=O)=O)(CC=C)C)OC
• Title of publication: Stereoselective quaternary center construction via atom-transfer radical cyclization using silicon tethers on acyclic precursors.
• Authors of publication: Duplessis, Martin; Waltz, Marie-Eve; Bencheqroun, Mohammed; Cardinal-David, Benoit; Guindon, Yvan
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 3148 - 3151
• a: 6.1407 ± 0.0003 Å
• b: 7.3149 ± 0.0004 Å
• c: 21.3626 ± 0.001 Å
• α: 87.205 ± 0.003°
• β: 86.658 ± 0.003°
• γ: 72.179 ± 0.003°
• Cell volume: 911.5 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No