Information card for entry 7038438

Structure parameters

• Formula: C30 H43 N3
• Calculated formula: C30 H43 N3
• SMILES: N1(C(N(C=C1)c1c(cccc1C(C)C)C(C)C)=CN(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.
• Authors of publication: Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9860 - 9870
• a: 9.3774 ± 0.0002 Å
• b: 20.2169 ± 0.0004 Å
• c: 15.0009 ± 0.0003 Å
• α: 90°
• β: 100.092 ± 0.0011°
• γ: 90°
• Cell volume: 2799.9 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No