Information card for entry 7009430

Structure parameters

• Formula: C20 H14 N4
• Calculated formula: C20 H14 N4
• SMILES: c1c(c2cc(c3ccncc3)cc(n2)c2ccccn2)nccc1
• Title of publication: Development of supramolecular structure through alkylation of pendant pyridyl functionality
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Phillips, David; Raithby, Paul R.; Schofield, Emma; Sparr, Emma; Tocher, Derek A.; Zehnder, Margareta; Zimmermann, Yves
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 2219
• a: 11.1385 ± 0.0003 Å
• b: 11.4375 ± 0.0005 Å
• c: 12.1929 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1553.33 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0447
• Goodness-of-fit parameter for significantly intense reflections: 0.8204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No