Information card for entry 7108568

Structure parameters

• Formula: C20 H20 N4 O5
• Calculated formula: C20 H20 N4 O5
• SMILES: N(C(=O)c1c(N(=O)=O)cccc1)c1c(cccc1)C(=O)N1[C@@H](CCC1)C(=O)NC
• Title of publication: Multifaceted folding in a foldamer featuring highly cooperative folds
• Authors of publication: Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11205
• a: 10.9252 ± 0.0007 Å
• b: 8.9395 ± 0.0006 Å
• c: 11.2908 ± 0.0007 Å
• α: 90°
• β: 116.821 ± 0.002°
• γ: 90°
• Cell volume: 984.09 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No