Information card for entry 7120604

Structure parameters

• Common name: VLI-005B3
• Chemical name: sarpong43
• Formula: C18 H30 O4 Si
• Calculated formula: C18 H30 O4 Si
• SMILES: [C@@]12([C@@H](C=C(C[C@H]1CCC2=O)C)O[Si](C)(C)C(C)(C)C)C(=O)OC.[C@]12([C@H](C=C(C[C@@H]1CCC2=O)C)O[Si](C)(C)C(C)(C)C)C(=O)OC
• Title of publication: Effect of protic additives in Cu-catalysed asymmetric Diels-Alder cycloadditions of doubly activated dienophiles: towards the synthesis of magellanine-type Lycopodium alkaloids
• Authors of publication: Lindsay, Vincent; Murphy, Rebecca; Sarpong, Richmond
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 6.9205 ± 0.0007 Å
• b: 7.0658 ± 0.0007 Å
• c: 20.0779 ± 0.0019 Å
• α: 81.664 ± 0.001°
• β: 80.281 ± 0.001°
• γ: 80.885 ± 0.001°
• Cell volume: 948.4 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No