Information card for entry 7134849

Structure parameters

• Formula: C54 H94 K2 N12 O15
• Calculated formula: C54 H94 K2 N12 O15
• 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: 13.1139 ± 0.0001 Å
• b: 14.3079 ± 0.0001 Å
• c: 19.8832 ± 0.0001 Å
• α: 93.405 ± 0.001°
• β: 108.729 ± 0.001°
• γ: 111.474 ± 0.001°
• Cell volume: 3220.98 ± 0.05 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No