Information card for entry 1575643

Structure parameters

• Chemical name: metal–peptide β-bulge structure (Tle, Tle)
• Formula: C36 H53.75 Ag F4.72 N7 O8.38 Sb0.79
• Calculated formula: C36 H53 Ag F4.725 N7 O8.375 Sb0.7875
• Title of publication: Engineering β-sheet morphologies <i>via</i> metal cross-linking and side chain modifications.
• Authors of publication: Tsunekawa, Eisuke; Nakama, Takahiro; Fujita, Makoto; Sawada, Tomohisa
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 18832 - 18837
• a: 20.786 ± 0.011 Å
• b: 35.384 ± 0.01 Å
• c: 51.125 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 37602 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1985
• Residual factor for significantly intense reflections: 0.1545
• Weighted residual factors for significantly intense reflections: 0.4034
• Weighted residual factors for all reflections included in the refinement: 0.4455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.281
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No