Information card for entry 1570247

Structure parameters

• Formula: C18 H14 N4 O
• Calculated formula: C18 H14 N4 O
• Title of publication: 4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates
• Authors of publication: Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.
• Journal of publication: Crystals
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 1537
• a: 5.0471 ± 0.0001 Å
• b: 12.5114 ± 0.0003 Å
• c: 22.2915 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1407.63 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No