Information card for entry 2023504

Structure parameters

• Chemical name: 3-{[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid
• Formula: C19 H19 N O4
• Calculated formula: C19 H19 N O4
• SMILES: O=C(OCC1c2ccccc2c2ccccc12)N[C@@H](CC(=O)O)C
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of Fmoc-β-amino butyric acid and Fmoc carbamate
• Authors of publication: Abubakar Magaji, Mubarak; Chen, Beining; Robertson, Craig Collumbine
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• a: 4.8393 ± 0.0002 Å
• b: 12.4928 ± 0.0004 Å
• c: 27.3101 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1651.07 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No