Information card for entry 4508198

Structure parameters

• Common name: DM74
• Formula: C92 H141 F3 N18 O31
• Calculated formula: C92 H141 F3 N18 O31
• Title of publication: Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies
• Authors of publication: Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4355
• a: 22.635 ± 0.005 Å
• b: 38.582 ± 0.01 Å
• c: 28.317 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24729 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1583
• Residual factor for significantly intense reflections: 0.1498
• Weighted residual factors for significantly intense reflections: 0.3933
• Weighted residual factors for all reflections included in the refinement: 0.4063
• Goodness-of-fit parameter for all reflections included in the refinement: 2.187
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.9537 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No