Information card for entry 4117435

Structure parameters

• Common name: JFB-02-104
• Chemical name: toste33
• Formula: C19 H20 O5
• Calculated formula: C19 H20 O5
• SMILES: [C@@]12([C@H](CC(=O)[C@H]1C(C=C2)(C(=O)OC)C(=O)OC)c1ccccc1)C
• Title of publication: Enantioselective Cyclizations of Silyloxyenynes Catalyzed by Cationic Metal Phosphine Complexes
• Authors of publication: Jean-François Brazeau; Suyan Zhang; Ignacio Colomer; Britton K. Corkey; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2742 - 2749
• a: 10.1287 ± 0.0009 Å
• b: 11.8446 ± 0.0012 Å
• c: 14.014 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1681.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No