Information card for entry 7022040

Structure parameters

• Formula: C40 H58 Li2 N2 O2 Si2
• Calculated formula: C40 H58 Li2 N2 O2 Si2
• SMILES: [Si]([N]12[C]34=[C]([C]5=[C]([N]6([Si](C(C)(C)C)(C)C)[Li]13[O]1CCCC1)([Li]26[O]1CCCC1)C=Cc1c5cccc1)c1c(C=C4)cccc1)(C(C)(C)C)(C)C
• Title of publication: LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.
• Authors of publication: Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 507 - 520
• a: 11.4765 ± 0.0002 Å
• b: 11.4765 ± 0.0002 Å
• c: 26.9628 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3075.49 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No