Information card for entry 7227714

Structure parameters

• Formula: C24 H20.67 I N O4.33
• Calculated formula: C24 H20 I N O4.3333
• 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: 26.878 ± 0.004 Å
• b: 26.878 ± 0.004 Å
• c: 4.999 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3127.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No