Information card for entry 7055454

Structure parameters

• Formula: C43 H34 N4 O
• Calculated formula: C43 H34 N4 O
• Title of publication: Organic charge-transfer complexes for the selective accommodation of aromatic isomers using anthracene derivatives and TCNQ
• Authors of publication: Khan, Arshad; Wang, Mingliang; Usman, Rabia; Lu, Jiao; Sun, Hao; Du, Man; Zhang, Ruimin; Xu, Chunxiang
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 5277
• a: 9.719 ± 0.0019 Å
• b: 10.356 ± 0.002 Å
• c: 17.804 ± 0.004 Å
• α: 74.09 ± 0.03°
• β: 86.73 ± 0.03°
• γ: 85.69 ± 0.03°
• Cell volume: 1717.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1192
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No