Information card for entry 7059189

Structure parameters

• Common name: A2-OMe
• Chemical name: A2-OMe and DIB
• Formula: C26 H18 F4 I2 N4 O4
• Calculated formula: C26 H18 F4 I2 N4 O4
• Title of publication: Novel liquid crystalline organogelators based on terephthalic acid and terephthalaldehyde derivatives: properties and promotion through the formation of halogen bonding
• Authors of publication: Huang, Yaodong; Zhang, Xiaojie; Cui, Wei; Wang, Xin; Li, Bin; Zhang, Yongxin; Yang, Junjiao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 614 - 625
• a: 8.3364 ± 0.0003 Å
• b: 8.9922 ± 0.0002 Å
• c: 9.0984 ± 0.0001 Å
• α: 82.895 ± 0.002°
• β: 73.539 ± 0.002°
• γ: 84.883 ± 0.002°
• Cell volume: 648.01 ± 0.03 ų
• Cell temperature: 160 ± 0.1 K
• Ambient diffraction temperature: 160 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No