Information card for entry 7055452

Structure parameters

• Formula: C42 H32 Cl N4 O
• Calculated formula: C42 H32 Cl 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: 9.899 ± 0.002 Å
• b: 10.339 ± 0.002 Å
• c: 16.807 ± 0.003 Å
• α: 100.87 ± 0.03°
• β: 99 ± 0.03°
• γ: 98.93 ± 0.03°
• Cell volume: 1637.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1915
• Residual factor for significantly intense reflections: 0.1445
• Weighted residual factors for significantly intense reflections: 0.3293
• Weighted residual factors for all reflections included in the refinement: 0.3695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No