Information card for entry 7227712

Structure parameters

• Formula: C26 H26 F N O5 S
• Calculated formula: C26 H26 F N O5 S
• Title of publication: Halogen bonding modulates hydrogel formation from Fmoc amino acids
• Authors of publication: Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 14
• Pages of publication: 1870
• a: 4.92 ± 0.001 Å
• b: 13.034 ± 0.003 Å
• c: 36.789 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2359.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1448
• Residual factor for significantly intense reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.2979
• Weighted residual factors for all reflections included in the refinement: 0.3191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No