Information card for entry 7713604

Structure parameters

• Formula: C70 H57 N6 Y
• Calculated formula: C70 H57 N6 Y
• SMILES: [Y]1234567([n]8([c]3([cH]4[cH]5[c]68C(c3ccccc3)(c3n2ccc3)c2ccccc2)C(c2n1ccc2)(c1ccccc1)c1ccccc1)C)N(N=C(c1ccccc1)c1ccccc1)c1ccccc1c1[n]7cccc1.c1(ccccc1)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: 11.494 ± 0.009 Å
• b: 15.028 ± 0.011 Å
• c: 15.994 ± 0.013 Å
• α: 90.881 ± 0.01°
• β: 95.81 ± 0.02°
• γ: 93.429 ± 0.013°
• Cell volume: 2743 ± 4 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: 0.1553
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No