Information card for entry 7134847

Structure parameters

• Chemical name: 1,4,5,8-Tetraazanaphthalene
• Formula: C6 H4 N4
• Calculated formula: C6 H4 N4
• Title of publication: Isolation of 1,4,5,8-tetraazanaphthalene radicals.
• Authors of publication: Deshapriya, Saroshan; Demir, Selvan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 66
• Pages of publication: 12301 - 12304
• a: 3.6563 ± 0.0002 Å
• b: 7.4254 ± 0.0004 Å
• c: 10.3507 ± 0.0005 Å
• α: 90°
• β: 94.82 ± 0.005°
• γ: 90°
• Cell volume: 280.02 ± 0.03 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No