Information card for entry 7251539

Structure parameters

• Chemical name: N^1^,N^4^-bis[[3-(trifluoromethyl)phenyl]methylene]-1,4-benzenediamine
• Formula: C22 H14 F6 N2
• Calculated formula: C22 H14 F6 N2
• Title of publication: Examining the role of molecular and crystallographic symmetry in isomorphism: a series of centrosymmetric “bridge-flipped” trifluoromethyl-substituted bis-benzylideneanilines
• Authors of publication: Gerten, Anthony L.; Larson, Sarah N.; Ojala, William H.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 849 - 861
• a: 12.5991 ± 0.0011 Å
• b: 4.8277 ± 0.0004 Å
• c: 14.9975 ± 0.0013 Å
• α: 90°
• β: 98.831 ± 0.003°
• γ: 90°
• Cell volume: 901.4 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No