Information card for entry 4031862

Structure parameters

• Formula: C16 H23 N O4
• Calculated formula: C16 H23 N O4
• SMILES: O1[C@@]2(N(C(=O)OC(C)(C)C)CCC2)C(=O)C2=C1CCCC2
• Title of publication: A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.
• Authors of publication: Picado, Alfredo; Li, ShengJian; Dieter, R. Karl
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 4
• Pages of publication: 1391 - 1400
• a: 8.7921 ± 0.0018 Å
• b: 11.303 ± 0.002 Å
• c: 15.658 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1556 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No