Information card for entry 4034728

Structure parameters

• Formula: C29 H32 O6
• Calculated formula: C29 H32 O6
• SMILES: O1[C@@H]2C(=C3[C@H]([C@H]1c1ccc(cc1)C(=O)OC)CCCCC3)[C@H](OCC2)c1ccc(cc1)C(=O)OC.O1[C@H]2C(=C3[C@@H]([C@@H]1c1ccc(cc1)C(=O)OC)CCCCC3)[C@@H](OCC2)c1ccc(cc1)C(=O)OC
• Title of publication: Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.
• Authors of publication: Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 24
• Pages of publication: 14987 - 14998
• a: 11.472 ± 0.0005 Å
• b: 17.9909 ± 0.0009 Å
• c: 24.4226 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5040.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1097
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No