Information card for entry 7243403

Structure parameters

• Formula: C16 H8 N4 O2
• Calculated formula: C16 H8 N4 O2
• Title of publication: Series of charge transfer complexes obtained as crystals in a confined environment
• Authors of publication: Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel
• Journal of publication: CrystEngComm
• Year of publication: 2021
• a: 6.312 ± 0.0004 Å
• b: 7.4057 ± 0.0005 Å
• c: 8.1661 ± 0.0005 Å
• α: 108.309 ± 0.005°
• β: 109.791 ± 0.004°
• γ: 92.81 ± 0.005°
• Cell volume: 335.79 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1149
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No