Information card for entry 7242564

Structure parameters

• Common name: TBMP
• Chemical name: 2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine
• Formula: C29 H24 N4
• Calculated formula: C29 H24 N4
• Title of publication: Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method
• Authors of publication: Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 3152 - 3159
• a: 19.462 ± 0.002 Å
• b: 5.2101 ± 0.0004 Å
• c: 26.144 ± 0.003 Å
• α: 90°
• β: 105.318 ± 0.011°
• γ: 90°
• Cell volume: 2556.8 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No