Information card for entry 2231446

Structure parameters

• Common name: 2,9-Dichloro-6<i>H</i>,13<i>H</i>-5:12,7:14- dimethanodibenzo[<i>d</i>,<i>i</i>][1,3,6,8]tetraazecine
• Chemical name: 4,13-dichloro-1,8,10,17-tetraazapentacyclo[8.8.1.1^8,17^.0^2,7^.0^11,16^]icosa- 2,4,6,11(16),12,14-hexaene
• Formula: C16 H14 Cl2 N4
• Calculated formula: C16 H14 Cl2 N4
• Title of publication: 2,9-Dichloro-6<i>H</i>,13<i>H</i>-5:12,7:14-dimethanodibenzo[<i>d</i>,<i>i</i>][1,3,6,8]tetraazecine
• Authors of publication: Rivera, Augusto; Maldonado, Mauricio; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2395
• a: 9.8633 ± 0.0006 Å
• b: 19.0429 ± 0.0014 Å
• c: 7.672 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1441 ± 0.19 ų
• Cell temperature: 119.7 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.33
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes