Information card for entry 7131441

Structure parameters

• Formula: C31 H27 N O2 Si
• Calculated formula: C31 H27 N O2 Si
• SMILES: c1cc2ccccc2c(c2ccc(cc2[Si](C)(c2ccccc2)c2ccccc2)C(=O)OCC)n1
• Title of publication: Iridium(I) complexes with bidentate NHC ligands as catalysts for dehydrogenative directed C-H silylation.
• Authors of publication: Manguin, Romane; Galiana-Cameo, María; Kittikool, Tanakorn; Barthes, Cécile; Thongpaen, Jompol; Bancal, Etienne; Mallet-Ladeira, Sonia; Yotphan, Sirilata; Castarlenas, Ricardo; Mauduit, Marc; Sortais, Jean-Baptiste; Baslé, Olivier
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 28
• Pages of publication: 4193 - 4196
• a: 8.3354 ± 0.0002 Å
• b: 12.19 ± 0.0002 Å
• c: 13.0443 ± 0.0003 Å
• α: 94.463 ± 0.002°
• β: 108.394 ± 0.002°
• γ: 96.839 ± 0.002°
• Cell volume: 1239.35 ± 0.05 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No