Information card for entry 7118484

Structure parameters

• Chemical name: 3',5'-Diethyl-2,2':6',2''-terpyridine
• Formula: C19 H21 N3
• Calculated formula: C19 H21 N3
• SMILES: c1(c2c(cc(c(c3ccccn3)n2)CC)CC)ccccn1
• Title of publication: Rhodium-catalyzed selective CH functionalization of NNN tridentate chelating compounds via a rollover pathway.
• Authors of publication: Hong, Seung Youn; Kwak, Jaesung; Chang, Sukbok
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 15
• Pages of publication: 3159 - 3162
• a: 21.0859 ± 0.0012 Å
• b: 8.8941 ± 0.0005 Å
• c: 8.6908 ± 0.0005 Å
• α: 90°
• β: 110.448 ± 0.0018°
• γ: 90°
• Cell volume: 1527.18 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No