Information card for entry 7119232

Structure parameters

• Formula: C27 H34 N4 O4
• Calculated formula: C27 H34 N4 O4
• SMILES: CC(=O)Nc1c(cc(cc1)C(=O)Nc1c(cc(cc1)C(=O)OC)/C=N/CC(C)C)/C=N/CC(C)C
• Title of publication: An α-helical peptidomimetic scaffold for dynamic combinatorial library formation.
• Authors of publication: Busschaert, Nathalie; Thompson, Sam; Hamilton, Andrew D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 313 - 316
• a: 7.108 ± 0.0014 Å
• b: 13.001 ± 0.003 Å
• c: 15.084 ± 0.003 Å
• α: 112.002 ± 0.003°
• β: 102.265 ± 0.003°
• γ: 90.523 ± 0.003°
• Cell volume: 1256.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No