Information card for entry 7132565

Structure parameters

• Formula: C32 H21 F2 N O
• Calculated formula: C32 H21 F2 N O
• SMILES: CC(c1ccc(cc1)n1c2c(c3c1ccc(c3)c1ccc(cc1)F)cc(cc2)c1ccc(cc1)F)=O
• Title of publication: Modulation of Δ<i>E</i>_ST and room temperature phosphorescence in carbazole derivatives.
• Authors of publication: Barhate, Komal Vasant; Wadawale, Amey P.; Chandrakumar, K. R. S.; Agarwal, Neeraj
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 11
• Pages of publication: 1408 - 1411
• a: 14.5446 ± 0.0001 Å
• b: 21.9876 ± 0.0005 Å
• c: 7.5051 ± 0.0001 Å
• α: 90°
• β: 101.383 ± 0.001°
• γ: 90°
• Cell volume: 2352.93 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2417
• Weighted residual factors for all reflections included in the refinement: 0.2643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No