Information card for entry 7154086

Structure parameters

• Formula: C25 H23 F N2 O2
• Calculated formula: C25 H23 F N2 O2
• SMILES: Fc1c(CN2CCC[C@H]2C(=O)Nc2ccccc2C(=O)c2ccccc2)cccc1
• Title of publication: Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.
• Authors of publication: Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 43
• Pages of publication: 8775 - 8782
• a: 8.2975 ± 0.0016 Å
• b: 11.26 ± 0.002 Å
• c: 21.17 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1977.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0508
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No