Information card for entry 7122788

Structure parameters

• Formula: C41 H26 N2
• Calculated formula: C41 H26 N2
• Title of publication: Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Naphthyl Appended Carbazole-Quinoline Conjugate, and their Mechanical Regulation
• Authors of publication: Bhattacharjee, Indranil; Acharya, Nirmalya; ray, debdas
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.8272 ± 0.0006 Å
• b: 27.987 ± 0.002 Å
• c: 11.8174 ± 0.0009 Å
• α: 90°
• β: 97.951 ± 0.003°
• γ: 90°
• Cell volume: 2891.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1805
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2516
• Weighted residual factors for all reflections included in the refinement: 0.3298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No