Information card for entry 2208515

Structure parameters

• Common name: 7,10-Diazaflouranthene
• Chemical name: Acenaphtho[1,2-b]pyrazine
• Formula: C14 H8 N2
• Calculated formula: C14 H8 N2
• SMILES: c1cnc2c(n1)c1cccc3c1c2ccc3
• Title of publication: Acenaphtho[1,2-<i>b</i>]pyrazine
• Authors of publication: Thorup, Niels; Eskildsen, Jørgen; Christensen, Jørn B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1291 - o1292
• a: 11.9243 ± 0.0002 Å
• b: 11.9243 ± 0.0002 Å
• c: 14.404 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.09 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes