Information card for entry 2220308

Structure parameters

• Chemical name: 4-Acetyl-3,3-diethyl-5-hydroxy-2-morpholino-2,3-dihydro-1-benzofuran
• Formula: C18 H25 N O4
• Calculated formula: C18 H25 N O4
• SMILES: O1C(N2CCOCC2)C(CC)(CC)c2c(C(=O)C)c(O)ccc12
• Title of publication: 4-Acetyl-3,3-diethyl-5-hydroxy-2-morpholino-2,3-dihydro-1-benzofuran
• Authors of publication: Vega, Andrés; Ramírez-Rodríguez, Oney; Martínez-Cifuentes, Maximiliano; Ibañez, Andrés; Araya-Maturana, Ramiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2329
• a: 7.7769 ± 0.0002 Å
• b: 19.4256 ± 0.0005 Å
• c: 22.3875 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3382.1 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes