Information card for entry 7200998

Structure parameters

• Formula: C34 H22 N8
• Calculated formula: C34 H22 N8
• SMILES: c1(ccc(cc1)c1c(c2ncccc2)nnc(c1)c1ccccn1)c1c(c2ncccc2)nnc(c1)c1ccccn1
• Title of publication: N-Substituted pyridazines as building blocks in novel supramolecular architectures
• Authors of publication: Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1505
• a: 36 ± 0.001 Å
• b: 36 ± 0.001 Å
• c: 6.213 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6973 ± 6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No