Information card for entry 7108571

Structure parameters

• Formula: C20 H21 N3 O3
• Calculated formula: C20 H21 N3 O3
• 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: 21.61 ± 0.003 Å
• b: 8.6706 ± 0.0012 Å
• c: 21.21 ± 0.003 Å
• α: 90°
• β: 118.719 ± 0.002°
• γ: 90°
• Cell volume: 3485.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No