Information card for entry 2011613

Structure parameters

• Common name: Piv-L-Sip-L-Ala-NH^i^Pr
• Chemical name: N-(3,3-dimethyl-1-pivaloyl-1-aza-3-sila-5-cyclopentylcarbonyl)-L-alanine isopropylamide
• Formula: C17 H33 N3 O3 Si
• Calculated formula: C17 H33 N3 O3 Si
• SMILES: C(C)(C)(C)C(=O)N1[C@@H](C[Si](C1)(C)C)C(=O)N[C@@H](C)C(=O)NC(C)C
• Title of publication: A silaproline-containing dipeptide
• Authors of publication: Vivet, Bertrand; Cavelier, Florine; Martinez, Jean; Didierjean, Claude; Marraud, Michel; Aubry, Andre
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1452 - 1454
• a: 9.665 ± 0.0005 Å
• b: 19.662 ± 0.0009 Å
• c: 11.123 ± 0.002 Å
• α: 90°
• β: 89.602 ± 0.005°
• γ: 90°
• Cell volume: 2113.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes