Information card for entry 4000344

Structure parameters

• Formula: C15 H10 F4 N2
• Calculated formula: C15 H10 F4 N2
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 6.427 ± 0.004 Å
• b: 26.783 ± 0.016 Å
• c: 7.235 ± 0.002 Å
• α: 90°
• β: 95.92 ± 0.05°
• γ: 90°
• Cell volume: 1238.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1626
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No