Information card for entry 7713600

Structure parameters

• Formula: C65 H50 F N6 Y
• Calculated formula: C65 H50 F N6 Y
• SMILES: [Y]1234567(n8c(ccc8)C(c8ccccc8)([c]85[n]1([c]6([cH]7[cH]48)C(c1n2ccc1)(c1ccccc1)c1ccccc1)C)c1ccccc1)N(N=C(c1ccccc1)c1ccccc1)c1cc(F)ccc1C=[N]3c1ccccc1
• 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: 17.2922 ± 0.001 Å
• b: 20.3976 ± 0.0011 Å
• c: 17.3327 ± 0.001 Å
• α: 90°
• β: 91.746 ± 0.001°
• γ: 90°
• Cell volume: 6110.7 ± 0.6 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: 0.155
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No