Information card for entry 4025486

Structure parameters

• Formula: C33 H23 N5
• Calculated formula: C33 H23 N5
• Title of publication: Facile Iterative Synthesis of 2,5-Terpyrimidinylenes as Nonpeptidic α-Helical Mimics
• Authors of publication: Laura Anderson; Mingzhou Zhou; Vasudha Sharma; Jillian M. McLaughlin; Daniel N. Santiago; Frank R. Fronczek; Wayne C. Guida; Mark L. McLaughlin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 4288 - 4291
• a: 9.3452 ± 0.0015 Å
• b: 22.046 ± 0.003 Å
• c: 12.0229 ± 0.0016 Å
• α: 90°
• β: 102.148 ± 0.009°
• γ: 90°
• Cell volume: 2421.5 ± 0.6 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No