Information card for entry 7055453

Structure parameters

• Formula: C39 H32 N4 O
• Calculated formula: C39 H32 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: 9.928 ± 0.002 Å
• b: 10.632 ± 0.002 Å
• c: 16.282 ± 0.003 Å
• α: 76.58 ± 0.03°
• β: 72.43 ± 0.03°
• γ: 77.68 ± 0.03°
• Cell volume: 1574.6 ± 0.6 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: 0.0979
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No