Information card for entry 1506987

Structure parameters

• Formula: C40 H50 N2 O3 Si2
• Calculated formula: C40 H50 N2 O3 Si2
• SMILES: [Si](C([Si](C)(C)C)N1C(=O)[C@](N2C(=O)O[C@@H]([C@@H]2c2ccccc2)c2ccccc2)([C@H]1CC(C)C)Cc1ccc2ccccc2c1)(C)(C)C
• Title of publication: Synthesis of type II beta-turn surrogate dipeptides based on syn-alpha-amino-alpha,beta-dialkyl-beta-lactams.
• Authors of publication: Palomo, Claudio; Aizpurua, Jesus M.; Ganboa, Iñaki; Benito, Ana; Cuerdo, Lourdes; Fratila, Raluca M.; Jimenez, Azucena; Loinaz, Iraida; Miranda, José I; Pytlewska, Kinga R.; Micle, Andreea; Linden, Anthony
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 4443 - 4446
• a: 13.4279 ± 0.0002 Å
• b: 16.455 ± 0.0002 Å
• c: 17.0828 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3774.55 ± 0.08 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0721
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No