Information card for entry 8106046

Structure parameters

• Formula: C16 H12 N6 O2
• Calculated formula: C16 H12 N6 O2
• Title of publication: The crystal structure of 1,2-bis(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)ethane, C16H12N6O2
• Authors of publication: Liu, Fei; Fang, Huang; Zhang, Fang; Chen, Qifan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 69 - 70
• a: 4.791 ± 0.005 Å
• b: 28.156 ± 0.005 Å
• c: 5.747 ± 0.005 Å
• α: 90 ± 0.005°
• β: 109.941 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 728.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No