Information card for entry 1534101

Structure parameters

• Formula: C24 H29 F N2 O5
• Calculated formula: C24 H29 F N2 O5
• SMILES: c1(ccccc1)[C@H]([C@@H](C(=O)OC)c1c(cccc1)F)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
• Title of publication: Dipeptide Nanotubes Containing Unnatural Fluorine-Substituted β(2,3)-Diarylamino Acid and l-Alanine as Candidates for Biomedical Applications.
• Authors of publication: Bonetti, Andrea; Pellegrino, Sara; Das, Priyadip; Yuran, Sivan; Bucci, Raffaella; Ferri, Nicola; Meneghetti, Fiorella; Castellano, Carlo; Reches, Meital; Gelmi, Maria Luisa
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 4468 - 4471
• a: 31.82 ± 0.005 Å
• b: 31.82 ± 0.005 Å
• c: 6.203 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5439.2 ± 1.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No