Information card for entry 1546040

Structure parameters

• Formula: C37 H68 N4 O5 Si2
• Calculated formula: C37 H68 N4 O5 Si2
• Title of publication: Hydrophobic α,α-Disubstituted Disilylated TESDpg Induces Incipient 310-Helix in Short Tripeptide Sequence
• Authors of publication: Fanelli, Roberto; Berthomieu, Dorothée; Didierjean, Claude; Doudouh, Abdelatif; Lebrun, Aurélien; Martinez, Jean; Cavelier, Florine
• Journal of publication: Organic Letters
• Year of publication: 2017
• a: 12.6926 ± 0.0001 Å
• b: 21.4026 ± 0.0002 Å
• c: 47.9632 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13029.4 ± 0.18 ų
• Cell temperature: 100.9 ± 0.6 K
• Ambient diffraction temperature: 100.9 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No