Information card for entry 7152253

Structure parameters

• Formula: C20 H26 O5
• Calculated formula: C20 H26 O5
• SMILES: c1(ccc(cc1)[C@@H]1[C@H](C[C@@H]([C@@H](O1)C)C(=O)OCC)C(=C)C)C(=O)OC.c1(ccc(cc1)[C@H]1[C@@H](C[C@H]([C@H](O1)C)C(=O)OCC)C(=C)C)C(=O)OC
• Title of publication: Synthesis of 2,3,5,6-tetrasubstituted tetrahydropyrans via (3,5)-oxonium-ene reaction.
• Authors of publication: Saha, Pipas; Bhunia, Anup; Saikia, Anil K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 2470 - 2481
• a: 19.837 ± 0.001 Å
• b: 15.2026 ± 0.0008 Å
• c: 6.3744 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1922.35 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No