Information card for entry 7713601

Structure parameters

• Formula: C66 H53 Lu N6 O
• Calculated formula: C66 H53 Lu N6 O
• SMILES: [Lu]1234567(n8c(C([c]93[n]1([c]5(C(c1n2ccc1)(c1ccccc1)c1ccccc1)[cH]6[cH]79)C)(c1ccccc1)c1ccccc1)ccc8)N(N=C(c1ccccc1)c1ccccc1)c1c(C=[N]4c2ccccc2)ccc(OC)c1
• 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: 14.0687 ± 0.001 Å
• b: 43.818 ± 0.003 Å
• c: 20.2354 ± 0.0014 Å
• α: 90°
• β: 108.348 ± 0.001°
• γ: 90°
• Cell volume: 11840.2 ± 1.4 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No