Information card for entry 4028153

Structure parameters

• Formula: C26 H31 N O3 S Si
• Calculated formula: C26 H31 N O3 S Si
• SMILES: c1ccccc1[Si](C1=C2[C@@H](C(=O)C(=C2CN(S(=O)(=O)c2ccc(cc2)C)CC1)C)C)(C)C
• Title of publication: Enantioselective Synthesis of 5,7-Bicyclic Ring Systems from Axially Chiral Allenes Using a Rh(I)-Catalyzed Cyclocarbonylation Reaction
• Authors of publication: Francois Grillet; Kay M. Brummond
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 3737 - 3754
• a: 19.4022 ± 0.0008 Å
• b: 8.942 ± 0.0004 Å
• c: 14.2378 ± 0.0006 Å
• α: 90°
• β: 93.347 ± 0.001°
• γ: 90°
• Cell volume: 2465.97 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.3943
• Weighted residual factors for all reflections included in the refinement: 0.3947
• Goodness-of-fit parameter for all reflections included in the refinement: 4.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No