Information card for entry 7209605

Structure parameters

• Formula: C54 H30 Br4 F8
• Calculated formula: C54 H30 Br4 F8
• Title of publication: Co-crystallization turned on the phosphorescence of phenanthrene by C‒Br⋯π halogen bonding, π‒hole⋯π bonding and other assisting interactions
• Authors of publication: Pang, Xue; Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2722
• a: 6.9513 ± 0.001 Å
• b: 8.9349 ± 0.0013 Å
• c: 17.922 ± 0.002 Å
• α: 83.047 ± 0.002°
• β: 84.916 ± 0.002°
• γ: 79.039 ± 0.002°
• Cell volume: 1082.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No