Information card for entry 7242565

Structure parameters

• Common name: PHZMP
• Chemical name: 2,8-bis((E)-2-(pyridin-3-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine
• Formula: C28 H24 N4
• Calculated formula: C28 H24 N4
• SMILES: N1c2ccc(cc2CNc2ccc(cc2C1)/C=C/c1cnccc1)/C=C/c1cnccc1
• 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: 9.4388 ± 0.0006 Å
• b: 9.4605 ± 0.0005 Å
• c: 12.5876 ± 0.0008 Å
• α: 94.094 ± 0.005°
• β: 103.85 ± 0.005°
• γ: 105.273 ± 0.005°
• Cell volume: 1041.89 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No