Information card for entry 7152541

Structure parameters

• Formula: C34 H40 F3 N3 O6 Si
• Calculated formula: C34 H40 F3 N3 O6 Si
• SMILES: [Si](OC[C@@H]1[C@H]2[C@@H](c3n(cnc3[C@H]1[C@](O)(C(=O)OCC)C(F)(F)F)Cc1ccccc1)C(=O)N(C2=O)c1ccccc1)(C)(C)C(C)(C)C.[Si](OC[C@H]1[C@@H]2[C@H](c3n(cnc3[C@@H]1[C@@](O)(C(=O)OCC)C(F)(F)F)Cc1ccccc1)C(=O)N(C2=O)c1ccccc1)(C)(C)C(C)(C)C
• Title of publication: Diastereoselective intermolecular ene reactions: synthesis of 4,5,6,7-tetrahydro-1H-benzo[d]imidazoles.
• Authors of publication: Watson, Lynsey J.; Harrington, Ross W.; Clegg, William; Hall, Michael J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 33
• Pages of publication: 6649 - 6655
• a: 10.8328 ± 0.0006 Å
• b: 12.7806 ± 0.0008 Å
• c: 13.3203 ± 0.0006 Å
• α: 72.909 ± 0.005°
• β: 79.316 ± 0.004°
• γ: 71.622 ± 0.006°
• Cell volume: 1664.08 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No