Information card for entry 4082617

Structure parameters

• Formula: C86 H118 N4 Si4
• Calculated formula: C86 H118 N4 Si4
• SMILES: C([Si](C)(C)C)([Si](C)(C)C)[C@@H]1c2cccc3C(=N/c4c(C(C)C)cccc4C(C)C)\C(C(=C[C@H]1[C@H]1[C@@H](c4cccc5C(=N\c6c(C(C)C)cccc6C(C)C)/C(=N/c6c(C(C)C)cccc6C(C)C)/C(=C1)c45)C([Si](C)(C)C)[Si](C)(C)C)c23)=N\c1c(C(C)C)cccc1C(C)C
• Title of publication: Dearomatized BIAN Alkaline-Earth Alkyl Catalysts for the Intramolecular Hydroamination of Hindered Aminoalkenes
• Authors of publication: Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 206
• a: 13.7376 ± 0.0004 Å
• b: 13.7376 ± 0.0004 Å
• c: 37.1695 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6074.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No