Information card for entry 7122037

Structure parameters

• Formula: C24 H17 N Se
• Calculated formula: C24 H17 N Se
• Title of publication: Chalcogen atom modulated persistent room-temperature phosphorescence through intramolecular electronic coupling.
• Authors of publication: Xu, Letian; Li, Guoping; Xu, Tao; Zhang, Weidong; Zhang, Sikun; Yin, Shiwei; An, Zhongfu; He, Gang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 66
• Pages of publication: 9226 - 9229
• a: 14.9778 ± 0.0005 Å
• b: 16.6273 ± 0.0006 Å
• c: 7.5305 ± 0.0002 Å
• α: 90°
• β: 99.679 ± 0.001°
• γ: 90°
• Cell volume: 1848.7 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.031
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No