Information card for entry 7248092

Structure parameters

• Chemical name: DFQ
• Formula: C28 H14 F4 N4
• Calculated formula: C28 H14 F4 N4
• Title of publication: Dual-rotor strategy for organic cocrystals with enhanced near-infrared photothermal conversion
• Authors of publication: Wen, Xinyi; Shao, Yixin; Chen, Ye-Tao; He, Jiaxing; Chen, Shun-Li; Dang, Li; Li, Ming-De
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 4503 - 4508
• a: 7.7988 ± 0.0002 Å
• b: 8.4619 ± 0.0002 Å
• c: 16.7251 ± 0.0004 Å
• α: 82.874 ± 0.002°
• β: 80.374 ± 0.002°
• γ: 83.233 ± 0.002°
• Cell volume: 1074.46 ± 0.05 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No