Information card for entry 1504683

Structure parameters

• Formula: C16 H24 O5
• Calculated formula: C16 H24 O5
• SMILES: O1[C@@H](C(C)(C)C)[C@]23C[C@@H]4O[C@@H](OC(=O)C)[C@H]1[C@]2(O4)CCC3.O1[C@H](C(C)(C)C)[C@@]23C[C@H]4O[C@H](OC(=O)C)[C@@H]1[C@@]2(O4)CCC3
• Title of publication: Microwave-accelerated competing domino processes: a tether-controlled dual pathway into high molecular complexity.
• Authors of publication: Elkhayat, Zobida; Safir, Imad; Castellote, Isabel; Retailleau, Pascal; Arseniyadis, Siméon
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 2219 - 2222
• a: 14.643 ± 0.006 Å
• b: 15.655 ± 0.006 Å
• c: 6.819 ± 0.004 Å
• α: 90°
• β: 102.06 ± 0.03°
• γ: 90°
• Cell volume: 1528.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1277
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No