Information card for entry 4065520

Structure parameters

• Formula: C39 H57 Mg N3 O
• Calculated formula: C39 H57 Mg N3 O
• SMILES: c1cc2[n]3[Mg](N(c4c(cccc4C(C)C)C(C)C)C2(C)C)([O]2CCCC2)N(C(c3c1)(C)C)c1c(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: 9.475 ± 0.0019 Å
• b: 16.603 ± 0.003 Å
• c: 22.15 ± 0.004 Å
• α: 90°
• β: 95.26 ± 0.03°
• γ: 90°
• Cell volume: 3469.8 ± 1.1 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 5
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No