Information card for entry 7204252

Structure parameters

• Formula: C16 H30 I N O2 Si
• Calculated formula: C16 H30 I N O2 Si
• SMILES: IC[C@H]1N2C(=O)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@]2(CC1)C
• Title of publication: Synthesis of 6-alkyl analogues of the 1-azabicyclo[4.3.0]nonan-2-one system by a strategy of geminal acylation and Beckmann rearrangement
• Authors of publication: Christine E. Elliott; David O. Miller; D. Jean Burnell
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 217 - 226
• a: 13.151 ± 0.003 Å
• b: 21.506 ± 0.003 Å
• c: 7.204 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2037.5 ± 1 ų
• Cell temperature: 299.2 K
• Ambient diffraction temperature: 299.2 K
• Number of distinct elements: 6
• 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: 0.1281
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections: 1.407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No