Information card for entry 7152256

Structure parameters

• Formula: C23 H26 O4
• Calculated formula: C23 H26 O4
• SMILES: O1[C@@H]2[C@@H](C[C@H]([C@H]1c1ccccc1)C(=O)OCC)C(Oc1c2cccc1)(C)C.O1[C@H]2[C@H](C[C@@H]([C@@H]1c1ccccc1)C(=O)OCC)C(Oc1c2cccc1)(C)C
• 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: 12.5282 ± 0.0008 Å
• b: 8.7884 ± 0.0006 Å
• c: 18.2013 ± 0.0012 Å
• α: 90°
• β: 94.582 ± 0.002°
• γ: 90°
• Cell volume: 1997.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.373
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No