Information card for entry 7108324

Structure parameters

• Formula: C64 H82 N14 O2 Si2
• Calculated formula: C64 H82 N14 O2 Si2
• SMILES: [Si](C)(C)(C)Cc1c2N(c3nc(N(c4nc(N(c5nc(N(c1cc(c2)C)C)ccc5)C)ccc4)C)ccc3)C.O=C(OCC)C
• Title of publication: C/aryl-C/alkyl bond formation from Cu(ClO4)2-mediated oxidative cross coupling reaction between arenes and alkyllithium reagents through structurally well-defined Ar-Cu(III) intermediates
• Authors of publication: Zu-Li Wang; Liang Zhao; Mei-Xiang Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9418
• a: 11.104 ± 0.002 Å
• b: 11.394 ± 0.002 Å
• c: 13.717 ± 0.003 Å
• α: 102.68 ± 0.03°
• β: 113.15 ± 0.03°
• γ: 90.01 ± 0.03°
• Cell volume: 1549.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No