Information card for entry 7713594

Structure parameters

• Formula: C69 H59 N6 O Y
• Calculated formula: C69 H59 N6 O Y
• SMILES: [Y]1234567([O]8CCCC8)(N(N=C(c8ccccc8)c8ccccc8)c8c(C(=[NH]2)c2ccccc2)cccc8)[n]2([c]4(C(c4n3ccc4)(c3ccccc3)c3ccccc3)[cH]7[cH]6[c]52C(c2n1ccc2)(c1ccccc1)c1ccccc1)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: 14.43 ± 0.07 Å
• b: 16.35 ± 0.07 Å
• c: 17.84 ± 0.08 Å
• α: 98.03 ± 0.05°
• β: 94.36 ± 0.05°
• γ: 116.15 ± 0.05°
• Cell volume: 3696 ± 3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.186
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No