Information card for entry 7242746

Structure parameters

• Formula: C47 H41 N3 O2
• Calculated formula: C47 H41 N3 O2
• Title of publication: Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers.
• Authors of publication: Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2021
• a: 31.5211 ± 0.0004 Å
• b: 14.7867 ± 0.0002 Å
• c: 33.4555 ± 0.0005 Å
• α: 90°
• β: 112.551 ± 0.002°
• γ: 90°
• Cell volume: 14401.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No