Information card for entry 1576091

Structure parameters

• Chemical name: Tetrachlorophthalonitrile triphenylene
• Formula: C26 H12 Cl4 N2
• Calculated formula: C26 H12 Cl4 N2
• Title of publication: Abnormal homodirectional responses of magneto-phosphorescence and magneto-fluorescence in organic phosphorescent crystals under third-component doping.
• Authors of publication: Zhang, Wanlong; Zhang, Yongcheng; Chen, Zhiyan; Qin, Wei
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 45
• Pages of publication: 26248 - 26256
• a: 17.7668 ± 0.0008 Å
• b: 7.3556 ± 0.0003 Å
• c: 18.3821 ± 0.0008 Å
• α: 90°
• β: 116.268 ± 0.002°
• γ: 90°
• Cell volume: 2154.2 ± 0.17 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 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: 0.0722
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No