Information card for entry 7134322

Structure parameters

• Formula: C24 H12 Br4
• Calculated formula: C24 H12 Br4
• Title of publication: Room-temperature phosphorescence in crystalline bifurcating halogen⋯halogen synthon containing chromophore.
• Authors of publication: Sujilkumar, Suvarna; Kalyani, Agaja; Hariharan, Mahesh
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 29
• Pages of publication: 5463 - 5466
• a: 7.9052 ± 0.0003 Å
• b: 12.3181 ± 0.0004 Å
• c: 22.0431 ± 0.0006 Å
• α: 90°
• β: 90.006 ± 0.001°
• γ: 90°
• Cell volume: 2146.49 ± 0.12 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No