Information card for entry 4038334

Structure parameters

• Formula: C17 H17 N O2
• Calculated formula: C17 H17 N O2
• Title of publication: Accessing Dihydro-1,2-oxazine via Cloke-Wilson type Annulation of Cyclopropyl Carbonyls: Application towards the Diastereoselective Synthesis of Pyrrolo[1,2-b][1,2]oxazine.
• Authors of publication: Kumar, Pankaj; Kumar, Rakesh; Banerjee, Prabal
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 62.025 ± 0.004 Å
• b: 5.3766 ± 0.0003 Å
• c: 8.2455 ± 0.0005 Å
• α: 90°
• β: 92.464 ± 0.002°
• γ: 90°
• Cell volume: 2747.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No