Information card for entry 1506904

Structure parameters

• Formula: C28 H33 N3 O4 Si
• Calculated formula: C28 H33 N3 O4 Si
• SMILES: O=C1N(C=N[C@@]21[C@@H]1C(=O)N(C(=O)[C@@H]1C[C@H]2O[Si](C)(C)C(C)(C)C)c1ccccc1)Cc1ccccc1.O=C1N(C=N[C@]21[C@H]1C(=O)N(C(=O)[C@H]1C[C@@H]2O[Si](C)(C)C(C)(C)C)c1ccccc1)Cc1ccccc1
• Title of publication: Oxidative rearrangement of imidazoles with dimethyldioxirane.
• Authors of publication: Lovely, Carl J.; Du, Hongwang; He, Yong; Rasika Dias, H. V.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 735 - 738
• a: 14.8764 ± 0.0017 Å
• b: 13.5218 ± 0.0013 Å
• c: 27.438 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5519.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No