Information card for entry 1575431

Structure parameters

• Formula: C40 H26 F2 N3
• Calculated formula: C40 H26 F2 N3
• Title of publication: Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals
• Authors of publication: Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 38
• Pages of publication: 6303 - 6313
• a: 8.7484 ± 0.0006 Å
• b: 13.5215 ± 0.0011 Å
• c: 13.7453 ± 0.0011 Å
• α: 73.799 ± 0.002°
• β: 75.94 ± 0.002°
• γ: 81.67 ± 0.002°
• Cell volume: 1509.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1441
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No