Information card for entry 7713614

Structure parameters

• Formula: C27 H23 N3 O
• Calculated formula: C27 H23 N3 O
• SMILES: O(c1ccc(/N=C/c2c(NN=C(c3ccccc3)c3ccccc3)cccc2)cc1)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: 14.63 ± 0.02 Å
• b: 5.784 ± 0.008 Å
• c: 25.69 ± 0.04 Å
• α: 90°
• β: 104.741 ± 0.017°
• γ: 90°
• Cell volume: 2102 ± 5 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2289
• Residual factor for significantly intense reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.3662
• Weighted residual factors for all reflections included in the refinement: 0.4213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No