Information card for entry 7106464

Structure parameters

• Formula: C37 H32 N10 O8
• Calculated formula: C37 H32 N10 O8
• Title of publication: Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn
• Authors of publication: 'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6416
• a: 8.0823 ± 0.0007 Å
• b: 16.6905 ± 0.0014 Å
• c: 25.88 ± 0.002 Å
• α: 90°
• β: 97.306 ± 0.002°
• γ: 90°
• Cell volume: 3462.8 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No