Information card for entry 7155398

Structure parameters

• Formula: C11 H17 N5 O2
• Calculated formula: C11 H17 N5 O2
• SMILES: n1c(c(ncc1C(=O)N1CCN(CC1)C)N)OC
• Title of publication: Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.
• Authors of publication: Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 373 - 378
• a: 12.7749 ± 0.0011 Å
• b: 10.4901 ± 0.001 Å
• c: 9.508 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1274.2 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0511
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No