Information card for entry 1517249

Structure parameters

• Formula: C15 H22 O5
• Calculated formula: C15 H22 O5
• SMILES: O(C(C)(C)C)[C@@H]1OC[C@@]2(O)OC3=C([C@@H]1C2)C(=O)CCC3.O(C(C)(C)C)[C@H]1OC[C@]2(O)OC3=C([C@H]1C2)C(=O)CCC3
• Title of publication: Expeditious Metal-Free Access to Functionalized Polycyclic Acetals under Mild Aqueous Conditions.
• Authors of publication: Kasare, Sanghratna; Bankar, Siddheshwar K.; Ramasastry, S. S. V.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4284 - 4287
• a: 10.478 ± 0.004 Å
• b: 15.304 ± 0.006 Å
• c: 9.535 ± 0.003 Å
• α: 90°
• β: 104.6 ± 0.02°
• γ: 90°
• Cell volume: 1479.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No