Information card for entry 4109057

Structure parameters

• Formula: C31 H33 Br I N O5 Si
• Calculated formula: C31 H33 Br I N O5 Si
• SMILES: Ic1cc2[C@@]3(O[C@@H]([C@@H]([Si](C)(C)c4ccc(OC)cc4)[C@@H]3C)CC(=O)OC)C(=O)N(c2cc1)Cc1c(Br)cccc1.Ic1cc2[C@]3(O[C@H]([C@H]([Si](C)(C)c4ccc(OC)cc4)[C@H]3C)CC(=O)OC)C(=O)N(c2cc1)Cc1c(Br)cccc1
• Title of publication: Synthesis and Cellular Profiling of Diverse Organosilicon Small Molecules
• Authors of publication: Annaliese K. Franz; Philip D. Dreyfuss; Stuart L. Schreiber
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1020 - 1021
• a: 11.094 ± 0.006 Å
• b: 11.378 ± 0.006 Å
• c: 25.409 ± 0.013 Å
• α: 81.701 ± 0.008°
• β: 79.045 ± 0.008°
• γ: 82.545 ± 0.008°
• Cell volume: 3099 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No