Information card for entry 7242566

Structure parameters

• Common name: PHZOP
• Chemical name: 2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine
• Formula: C28 H24 N4
• Calculated formula: C28 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: 4.8535 ± 0.0006 Å
• b: 37.442 ± 0.005 Å
• c: 11.8808 ± 0.001 Å
• α: 90°
• β: 101.043 ± 0.01°
• γ: 90°
• Cell volume: 2119.1 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No