Information card for entry 2226672

Structure parameters

• Chemical name: 4,5-Diaza-9<i>H</i>-fluoren-9-imine
• Formula: C11 H7 N3
• Calculated formula: C11 H7 N3
• SMILES: N=C1c2c(nccc2)c2ncccc12
• Title of publication: 4,5-Diaza-9<i>H</i>-fluoren-9-imine
• Authors of publication: Cang, Hui; Ji, Jin-Xiu; Wang, Si-Qing; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1802
• a: 10.008 ± 0.002 Å
• b: 12.407 ± 0.003 Å
• c: 6.814 ± 0.0014 Å
• α: 90°
• β: 99.74 ± 0.03°
• γ: 90°
• Cell volume: 833.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0987
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes