Information card for entry 1570250

Structure parameters

• Formula: C20 H14 N2 O3
• Calculated formula: C20 H14 N2 O3
• 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: 16.89752 ± 0.00013 Å
• b: 5.76627 ± 0.00004 Å
• c: 17.97633 ± 0.00013 Å
• α: 90°
• β: 113.947 ± 0.0009°
• γ: 90°
• Cell volume: 1600.77 ± 0.02 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No