Information card for entry 4117436

Structure parameters

• Common name: JFB-03-045
• Chemical name: toste40
• Formula: C17 H17 N O7
• Calculated formula: C17 H17 N O7
• SMILES: c1(ccc(cc1)C(=O)[C@H]1C(CC=C1C)(C(=O)OC)C(=O)OC)N(=O)=O
• 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: 9.3322 ± 0.0008 Å
• b: 7.1038 ± 0.0006 Å
• c: 12.7222 ± 0.0011 Å
• α: 90°
• β: 107.09 ± 0.003°
• γ: 90°
• Cell volume: 806.17 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No