Information card for entry 7213162

Structure parameters

• Formula: C26 H24 N2 O3 S
• Calculated formula: C26 H24 N2 O3 S
• SMILES: S(c1c(c2c3c(cc(C(=O)N(C)C)c2O)cccc3)c2ccccc2cc1)C(=O)N(C)C
• Title of publication: Catalytic conjugate addition promoted by the copper(I)-monothiobinaphthol system. Part 3. Comparison of three thiolate-based catalytic systems
• Authors of publication: Bennett, Simon M. W.; Brown, Stephen M.; Conole, Gráinne; Dennis, Michael R.; Fraser, Paul K.; Radojevic, Sanja; McPartlin, Mary; Topping, Chris M.; Woodward, Simon
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 3127
• a: 14.95 ± 0.009 Å
• b: 8.946 ± 0.002 Å
• c: 17.391 ± 0.004 Å
• α: 90°
• β: 90.49 ± 0.03°
• γ: 90°
• Cell volume: 2325.8 ± 1.6 ų
• Cell temperature: 570 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1885
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No