Information card for entry 7204270

Structure parameters

• Formula: C20 H22 N2 O3
• Calculated formula: C20 H22 N2 O3
• SMILES: N1(C(=O)C(N(C(=O)C1=O)CC=C)(CC=C)Cc1ccccc1)CC=C
• Title of publication: Synthesis of conformationally constrained amino acid and peptide derivatives
• Authors of publication: Patrick D. Bailey; Neill Bannister; Marine Bernad; Sophie Blanchard; Andrew N. Boa
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 3245 - 3251
• a: 8.813 ± 0.001 Å
• b: 11.418 ± 0.002 Å
• c: 18.102 ± 0.002 Å
• α: 90°
• β: 103.54 ± 0.01°
• γ: 90°
• Cell volume: 1770.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.101
• Weighted residual factors for significantly intense reflections: 0.0933
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No