Information card for entry 7243941

Structure parameters

• Chemical name: 2,4,6-tripyridin-4-yl-1,3,5-triazine
• Formula: C18 H12 N6
• Calculated formula: C18 H12 N6
• Title of publication: Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED
• Authors of publication: Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 48
• Pages of publication: 8622 - 8630
• a: 13.507 ± 0.01 Å
• b: 11.432 ± 0.007 Å
• c: 11.114 ± 0.009 Å
• α: 90°
• β: 109.81 ± 0.07°
• γ: 90°
• Cell volume: 1615 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2375
• Residual factor for significantly intense reflections: 0.19
• Weighted residual factors for significantly intense reflections: 0.4192
• Weighted residual factors for all reflections included in the refinement: 0.4328
• Goodness-of-fit parameter for all reflections included in the refinement: 2.477
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: 200keVelectrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No