Information card for entry 4120811

Structure parameters

• Formula: C30 H32 N2 O2 Si
• Calculated formula: C30 H32 N2 O2 Si
• SMILES: C1(c2cccc3c2c(ccc3)/C1=N\c1ccc(cc1)OC)(C[Si](C)(C)C)Nc1ccc(cc1)OC
• Title of publication: Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation
• Authors of publication: Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 13939 - 13946
• a: 11.1004 ± 0.0009 Å
• b: 11.3249 ± 0.0009 Å
• c: 22.3211 ± 0.0018 Å
• α: 76.401 ± 0.002°
• β: 83.103 ± 0.002°
• γ: 74.218 ± 0.003°
• Cell volume: 2619.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No