Information card for entry 7152358

Structure parameters

• Formula: C20 H32 N2 O4 S Si2
• Calculated formula: C20 H32 N2 O4 S Si2
• SMILES: c12ccccc1N([C@]13[C@H]2[C@H]1C(=O)N([C@H]3CO)C([Si](C)(C)C)[Si](C)(C)C)S(=O)(=O)C.c12ccccc1N([C@@]13[C@@H]2[C@@H]1C(=O)N([C@@H]3CO)C([Si](C)(C)C)[Si](C)(C)C)S(=O)(=O)C
• Title of publication: Conformational, steric and electronic effects on the site- and chemoselectivity of the metal-catalyzed reaction of N-bis(trimethylsilyl)methyl, N-(2-indolyl)methyl α-diazoamides.
• Authors of publication: Zhang, Bao; Wee, Andrew G. H.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 4597 - 4608
• a: 9.0478 ± 0.0009 Å
• b: 18.6125 ± 0.0018 Å
• c: 14.1521 ± 0.0014 Å
• α: 90°
• β: 96.359 ± 0.001°
• γ: 90°
• Cell volume: 2368.6 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No