Information card for entry 1564200

Structure parameters

• Formula: C19 H11 F N2
• Calculated formula: C19 H11 F N2
• Title of publication: Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding
• Authors of publication: Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2021
• a: 7.191 ± 0.0004 Å
• b: 13.105 ± 0.0008 Å
• c: 14.5221 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1368.5 ± 0.2 ų
• Cell temperature: 112.55 ± 0.1 K
• Ambient diffraction temperature: 112.55 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No