Information card for entry 7125884

Structure parameters

• Formula: C70 H111 F3 N10 O24
• Calculated formula: C70.3 H95.1 F2.1 N10 O22.3
• Title of publication: Bioadhesive supramolecular hydrogel from unprotected, short d,l-peptides with Phe-Phe and Leu-Asp-Val motifs.
• Authors of publication: Cringoli, Maria Cristina; Romano, Chiara; Parisi, Evelina; Waddington, Lynne J.; Melchionna, Michele; Semeraro, Sabrina; De Zorzi, Rita; Grönholm, Mikaela; Marchesan, Silvia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 20
• Pages of publication: 3015 - 3018
• a: 9.529 ± 0.0019 Å
• b: 23.743 ± 0.005 Å
• c: 18.276 ± 0.004 Å
• α: 90°
• β: 96.35 ± 0.03°
• γ: 90°
• Cell volume: 4109.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.256
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No