Information card for entry 4348845

Structure parameters

• Formula: C31 H51 N3 Si
• Calculated formula: C31 H51 N3 Si
• SMILES: C1(C(C)(C)CC(C)(C)N1c1c(C(C)C)cccc1C(C)C)=[Si]=C1N(C(C)C)C(C)=C(C)N1C(C)C
• Title of publication: Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.
• Authors of publication: Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 9091 - 9098
• a: 9.6322 ± 0.0009 Å
• b: 15.0447 ± 0.0014 Å
• c: 21.449 ± 0.002 Å
• α: 78.976 ± 0.002°
• β: 88.624 ± 0.003°
• γ: 87.02 ± 0.002°
• Cell volume: 3046.5 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1765
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.2102
• 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