Information card for entry 4035140

Structure parameters

• Formula: C23 H28 N0 O7
• Calculated formula: C23 H28 O7
• SMILES: O1C2=C(C(=O)CCC2)C[C@H]1[C@@H](c1ccc(OC)cc1)C(C(=O)OCC)C(=O)OCC
• Title of publication: Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.
• Authors of publication: Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 17
• Pages of publication: 9795 - 9817
• a: 6.8209 ± 0.0007 Å
• b: 8.7627 ± 0.001 Å
• c: 18.8032 ± 0.0019 Å
• α: 90°
• β: 99.61 ± 0.004°
• γ: 90°
• Cell volume: 1108.1 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No