Information card for entry 1504304

Structure parameters

• Formula: C16 H19 N O3
• Calculated formula: C16 H19 N O3
• SMILES: C12=C(CC(C1)(C)C)C(=O)N1C[C@@H]3C[C@H]4C=C[C@]3([C@H]1O2)O4
• Title of publication: Microwave-assisted domino and multicomponent reactions with cyclic acylketenes: expeditious syntheses of oxazinones and oxazindiones.
• Authors of publication: Presset, Marc; Coquerel, Yoann; Rodriguez, Jean
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 5706 - 5709
• a: 6.2054 ± 0.0001 Å
• b: 10.304 ± 0.0002 Å
• c: 21.8082 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1394.43 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0642
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No