Information card for entry 7713611

Structure parameters

• Formula: C65 H57 N6 Y
• Calculated formula: C65 H57 N6 Y
• SMILES: [Y]1234567(n8c(C([c]96[cH]7[cH]4[c]5([n]19C)C(c1ccccc1)(c1n2ccc1)c1ccccc1)(c1ccccc1)c1ccccc1)ccc8)N(N=C(c1ccccc1)c1ccccc1)c1ccccc1C=[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: 15.1303 ± 0.0012 Å
• b: 15.1348 ± 0.0011 Å
• c: 15.381 ± 0.0012 Å
• α: 91.813 ± 0.001°
• β: 100.98 ± 0.001°
• γ: 110.037 ± 0.001°
• Cell volume: 3230.4 ± 0.4 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: 0.1412
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No