Information card for entry 1506486

Structure parameters

• Formula: C35 H38 N2 O5 Si
• Calculated formula: C35 H38 N2 O5 Si
• SMILES: c1c2ccccc2ccc1NC(=O)[C@@H](/C=C([Si](C)(C)C)/[C@H](NC(=O)OCc1ccccc1)c1ccc(cc1)C(=O)OC)C.c1c2ccccc2ccc1NC(=O)[C@H](/C=C([Si](C)(C)C)/[C@@H](NC(=O)OCc1ccccc1)c1ccc(cc1)C(=O)OC)C
• Title of publication: Convergent approach to (E)-alkene and cyclopropane peptide isosteres.
• Authors of publication: Wipf, Peter; Xiao, Jingbo
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 103 - 106
• a: 14.434 ± 0.006 Å
• b: 16.772 ± 0.007 Å
• c: 15.101 ± 0.006 Å
• α: 90°
• β: 104.301 ± 0.007°
• γ: 90°
• Cell volume: 3542 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1063
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No