Information card for entry 7110953

Structure parameters

• Formula: C19 H24 O5 Se
• Calculated formula: C19 H24 O5 Se
• SMILES: [Se]([C@H]1C[C@@H]2[C@]3(CC[C@@H]([C@@](C[C@H]1O2)(O3)C)OC(=O)C)O)c1ccccc1
• Title of publication: Construction of the 11-oxabicyclo[6.2.1]undecane core of the cladiellins by a novel rearrangement reaction
• Authors of publication: Clark, J. Stephen; Wong, Yung-Sing
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1079
• a: 6.0174 ± 0.0008 Å
• b: 20.717 ± 0.003 Å
• c: 7.6596 ± 0.001 Å
• α: 90°
• β: 108.215 ± 0.003°
• γ: 90°
• Cell volume: 907 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No