Information card for entry 1513308

Structure parameters

• Formula: C31.5 H41 N3 O4 Si
• Calculated formula: C31.5 H41 N3 O4 Si
• SMILES: [Si](OC[C@@H]1[C@@H](O)c2ncn(c2[C@@H]2C(=O)N(C(=O)[C@H]12)c1ccccc1)Cc1ccccc1)(C)(C)C(C)(C)C.CCCCC.[Si](OC[C@H]1[C@H](O)c2ncn(c2[C@H]2C(=O)N(C(=O)[C@@H]12)c1ccccc1)Cc1ccccc1)(C)(C)C(C)(C)C.CCCCC
• 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: 9.86 ± 0.002 Å
• b: 15.874 ± 0.003 Å
• c: 20.79 ± 0.004 Å
• α: 81.5 ± 0.03°
• β: 81.42 ± 0.03°
• γ: 76.87 ± 0.03°
• Cell volume: 3111.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections: 0.1881
• Weighted residual factors for significantly intense reflections: 0.1584
• Goodness-of-fit parameter for all reflections: 1.135
• Goodness-of-fit parameter for significantly intense reflections: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No