Information card for entry 7713608

Structure parameters

• Formula: C71 H55 N6 Y
• Calculated formula: C71 H55 N6 Y
• SMILES: [Y]1234567([n]8([c]4([cH]5[cH]7[c]68C(c4ccccc4)(c4n3ccc4)c3ccccc3)C(c3ccccc3)(c3n1ccc3)c1ccccc1)C)N(N=C(c1ccccc1)c1ccccc1)c1c(C(=[N]2c2ccccc2)c2ccccc2)cccc1
• 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: 13.339 ± 0.019 Å
• b: 14.75 ± 0.02 Å
• c: 18.38 ± 0.03 Å
• α: 81.977 ± 0.015°
• β: 76.954 ± 0.014°
• γ: 65.66 ± 0.014°
• Cell volume: 3205 ± 8 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1597
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No