Information card for entry 4030971

Structure parameters

• Formula: C24 H27 B F4 N2 O4
• Calculated formula: C24 H27 B F4 N2 O4
• Title of publication: 1H-Azepine-2-oxo-5-amino-5-carboxylic Acid: A 310 Helix Inducer and an Effective Tool for Functionalized Gold Nanoparticles.
• Authors of publication: Pellegrino, Sara; Bonetti, Andrea; Clerici, Francesca; Contini, Alessandro; Moretto, Alessandro; Soave, Raffaella; Gelmi, Maria Luisa
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 5507 - 5516
• a: 10.659 ± 0.002 Å
• b: 8.0066 ± 0.0016 Å
• c: 14.918 ± 0.003 Å
• α: 90°
• β: 103.12 ± 0.03°
• γ: 90°
• Cell volume: 1239.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2312
• Weighted residual factors for all reflections included in the refinement: 0.2712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No