Information card for entry 4111575

Structure parameters

• Formula: C135 H174 N52.88 O53.75 Pd6
• Calculated formula: C135 H174 N52.95 O53.75 Pd6
• Title of publication: Sequence-Selective Recognition of Peptides within the Single Binding Pocket of a Self-Assembled Coordination Cage
• Authors of publication: Shohei Tashiro; Masahide Tominaga; Masaki Kawano; Bruno Therrien; Tomoji Ozeki; Makoto Fujita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 4546 - 4547
• a: 70.377 ± 0.014 Å
• b: 17.181 ± 0.003 Å
• c: 42.159 ± 0.008 Å
• α: 90°
• β: 99.9 ± 0.03°
• γ: 90°
• Cell volume: 50217 ± 17 ų
• Cell temperature: 15 ± 2 K
• Ambient diffraction temperature: 15 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2242
• Residual factor for significantly intense reflections: 0.1518
• Weighted residual factors for significantly intense reflections: 0.4191
• Weighted residual factors for all reflections included in the refinement: 0.4521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation wavelength: 0.689 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No