Information card for entry 1576090

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: 17.5578 ± 0.0008 Å
• b: 7.2616 ± 0.0003 Å
• c: 18.2966 ± 0.001 Å
• α: 90°
• β: 116.173 ± 0.002°
• γ: 90°
• Cell volume: 2093.59 ± 0.18 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.1004
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.2778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No