Information card for entry 7207134

Structure parameters

• Formula: C19 H19 N3
• Calculated formula: C19 H19 N3
• SMILES: n1ccc(cc1)c1nc(cc(c1)C(C)(C)C)c1ccncc1
• Title of publication: Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 446
• a: 9.0269 ± 0.0009 Å
• b: 10.144 ± 0.001 Å
• c: 10.6092 ± 0.0011 Å
• α: 62.324 ± 0.006°
• β: 65.248 ± 0.006°
• γ: 70.093 ± 0.006°
• Cell volume: 768.3 ± 0.14 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections: 0.1785
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No