Information card for entry 7039689

Structure parameters

• Formula: C19 H29 N O3
• Calculated formula: C19 H29 N O3
• SMILES: O(C(=O)N1CCC(O)(CC1)c1c(cc(cc1C)C)C)C(C)(C)C
• Title of publication: The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(iii) complexes.
• Authors of publication: Davidson, Ross; Hsu, Yu-Ting; Batchelor, Thomas; Yufit, Dmitry; Beeby, Andrew
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11496 - 11507
• a: 11.454 ± 0.0008 Å
• b: 20.9192 ± 0.0015 Å
• c: 22.0993 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5295.2 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No