Information card for entry 2234551

Structure parameters

• Common name: 3,5,11,14-tetraazatetracyclo[11.4.0.0^2,6^.0^7,12^]heptadeca- 1(13),2(6),3,7,9,11,14,16-octaene
• Chemical name: 5<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthroline
• Formula: C13 H8 N4
• Calculated formula: C13 H8 N4
• SMILES: n1c2c3ncccc3c3[nH]cnc3c2ccc1
• Title of publication: 5<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthroline
• Authors of publication: Tong, Shao-Wei; Song, Wen-Dong; Miao, Dong-Liang; An, Jing-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1448
• a: 14.569 ± 0.002 Å
• b: 7.8623 ± 0.0012 Å
• c: 17.042 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1952.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes