Information card for entry 7713609

Structure parameters

• Formula: C26 H21 N3
• Calculated formula: C26 H21 N3
• SMILES: N(=C(c1ccccc1)c1ccccc1)Nc1c(cccc1)C(=N)c1ccccc1
• 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: 9.9 ± 0.03 Å
• b: 10.39 ± 0.03 Å
• c: 10.65 ± 0.03 Å
• α: 76.1 ± 0.03°
• β: 74.76 ± 0.03°
• γ: 89.66 ± 0.03°
• Cell volume: 1024 ± 5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No