Information card for entry 4108352

Structure parameters

• Formula: C19 H27 N O3 Si
• Calculated formula: C19 H27 N O3 Si
• SMILES: C[Si](C)(C)CCOC(=O)[C@]1(C[C@H]2C=C[C@@H]1C2)N(c1ccccc1)O.C[Si](C)(C)CCOC(=O)[C@@]1(C[C@@H]2C=C[C@H]1C2)N(c1ccccc1)O
• Title of publication: Nitrosobenzene-Mediated C-C Bond Cleavage Reactions and Spectral Observation of an Oxazetidin-4-one Ring System
• Authors of publication: Joshua N. Payette; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12276 - 12278
• a: 10.219 ± 0.003 Å
• b: 6.4631 ± 0.0017 Å
• c: 14.713 ± 0.004 Å
• α: 90°
• β: 102.359 ± 0.004°
• γ: 90°
• Cell volume: 949.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No