Information card for entry 4506628

Structure parameters

• Formula: C23 H16 N4 O2
• Calculated formula: C23 H16 N4 O2
• Title of publication: Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions
• Authors of publication: Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4758
• a: 7.7738 ± 0.0002 Å
• b: 10.0484 ± 0.0002 Å
• c: 12.6865 ± 0.0002 Å
• α: 76.404 ± 0.001°
• β: 76.3821 ± 0.001°
• γ: 85.9155 ± 0.0009°
• Cell volume: 936.02 ± 0.03 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0623
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No