Information card for entry 7713612

Structure parameters

• Formula: C56 H52 Lu N5 Si
• Calculated formula: C56 H52 Lu N5 Si
• SMILES: [Lu]1234567([n]8([c]4([cH]7[cH]6[c]58C(c4n1ccc4)(c1ccccc1)c1ccccc1)C(c1n2ccc1)(c1ccccc1)c1ccccc1)C)[N](=C(c1ccccc1)c1ccccc1)N3C[Si](C)(C)C
• Title of publication: Aryl C–H bond functionalization with diphenyldiazomethane induced by rare-earth metal alkyl complexes
• Authors of publication: Guo, Dianjun; Rajeshkumar, Thayalan; Zhu, Shan; Yuan, Qingbing; Hong, Dongjing; Zhou, Shuangliu; Zhu, Xiancui; Maron, Laurent; Wang, Shaowu
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.8724 ± 0.0006 Å
• b: 13.1419 ± 0.0007 Å
• c: 18.0651 ± 0.001 Å
• α: 97.798 ± 0.001°
• β: 96.349 ± 0.001°
• γ: 111.559 ± 0.001°
• Cell volume: 2342.1 ± 0.2 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0729
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No