Information card for entry 7119585

Structure parameters

• Formula: C14 H19 Br N4 O2
• Calculated formula: C14 H19 Br N4 O2
• SMILES: Brc1ccc(C(=N\N(C(=O)N(C)C)C(=O)N(C)C)\C)cc1
• Title of publication: C[double bond, length as m-dash]N bond formation via palladium-catalyzed carbene insertion into N[double bond, length as m-dash]N bonds: inhibiting the general 1,2-migration process of ylide intermediates.
• Authors of publication: Zhu, Chuanle; Chen, Pengquan; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 2697 - 2700
• a: 5.1666 ± 0.001 Å
• b: 12.446 ± 0.003 Å
• c: 25.39 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1708
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No