Information card for entry 7152254

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: 8.9913 ± 0.0007 Å
• b: 19.6654 ± 0.0014 Å
• c: 11.4452 ± 0.0009 Å
• α: 90°
• β: 103.239 ± 0.004°
• γ: 90°
• Cell volume: 1969.9 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No