Information card for entry 7108567

Structure parameters

• Formula: C22 H24 N4 O4
• Calculated formula: C22 H24 N4 O4
• SMILES: O=C(Nc1c(cccc1)C(=O)Nc1c(cccc1)C(=O)N1[C@H](CCC1)C(=O)NC)C
• 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: 10.4654 ± 0.0008 Å
• b: 11.4224 ± 0.0009 Å
• c: 16.7268 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1999.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No