Information card for entry 4025409

Structure parameters

• Formula: C14 H23 N O3
• Calculated formula: C14 H23 N O3
• SMILES: N1([C@H]2CCCC[C@H]2[C@@H](C1=O)C(=O)OC)C(C)(C)C.N1([C@@H]2CCCC[C@@H]2[C@H](C1=O)C(=O)OC)C(C)(C)C
• Title of publication: Selective Approach toward Multifunctionalized Lactams by Lewis Acid Promoted PhSe Group Transfer Radical Cyclization
• Authors of publication: Jin-Di Yu; Wei Ding; Gao-Yan Lian; Ke-Sheng Song; Dan-Wei Zhang; Xiang Gao; Dan Yang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3232 - 3239
• a: 9.847 ± 0.004 Å
• b: 12.586 ± 0.002 Å
• c: 11.541 ± 0.003 Å
• α: 90°
• β: 99.81 ± 0.02°
• γ: 90°
• Cell volume: 1409.4 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No