Information card for entry 2006222

Structure parameters

• Chemical name: 2,4,6-Tris(diazo)-cyclohexane-1,3,5-trione
• Formula: C6 N6 O3
• Calculated formula: C6 N6 O3
• SMILES: N#N=C1C(=O)C(=N#N)C(C(C1=O)=N#N)=O
• Title of publication: 2,4,6-Tris(diazo)cyclohexane-1,3,5-trione
• Authors of publication: Jones, Peter G.; Ahrens, Birte; Höpfner, Thomas; Hopf, Henning
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 783 - 786
• a: 9.1599 ± 0.0013 Å
• b: 9.1599 ± 0.0013 Å
• c: 5.445 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 395.6 ± 0.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.0885
• Goodness-of-fit parameter for all reflections: 1.184
• Goodness-of-fit parameter for significantly intense reflections: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No