Information card for entry 7152357

Structure parameters

• Formula: C24 H32 N2 O3 S Si2
• Calculated formula: C24 H32 N2 O3 S Si2
• SMILES: S(=O)(=O)(N1[C@@]23[C@@H](C(=O)N(C2)C([Si](C)(C)C)[Si](C)(C)C)[C@@H]3c2ccccc12)c1ccccc1.S(=O)(=O)(N1[C@]23[C@H](C(=O)N(C2)C([Si](C)(C)C)[Si](C)(C)C)[C@H]3c2ccccc12)c1ccccc1
• 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: 16.8073 ± 0.0004 Å
• b: 9.1044 ± 0.0002 Å
• c: 23.0328 ± 0.0005 Å
• α: 90°
• β: 131.716 ± 0.001°
• γ: 90°
• Cell volume: 2630.86 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No