Information card for entry 7230355

Structure parameters

• Formula: C16 H12 F3 N
• Calculated formula: C16 H12 F3 N
• Title of publication: Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission
• Authors of publication: Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 2316
• a: 7.5758 ± 0.0003 Å
• b: 11.2809 ± 0.0005 Å
• c: 16.6769 ± 0.0009 Å
• α: 103.657 ± 0.003°
• β: 101.408 ± 0.003°
• γ: 105.29 ± 0.002°
• Cell volume: 1283.47 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No