Information card for entry 4065519

Structure parameters

• Formula: C35 H51 N3
• Calculated formula: C35 H51 N3
• SMILES: c1(cccc(C(C)(C)Nc2c(cccc2C(C)C)C(C)C)n1)C(C)(C)Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis of Bis(amino)pyridines by the Stepwise Alkylation of Bis(imino)pyridines: An Unexpected and Selective Alkylation of the Aminoiminopyridine by AlMe3
• Authors of publication: Tay, Boon-Ying; Wang, Cun; Chia, Sze-Chen; Stubbs, Ludger P.; Wong, Pui-Kwan; van Meurs, Martin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 6028
• a: 15.873 ± 0.003 Å
• b: 32.135 ± 0.006 Å
• c: 12.193 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6219.4 ± 1.9 ų
• Cell temperature: 115.1 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.1219
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.2615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No