Information card for entry 1572842

Structure parameters

• Formula: C13 H21 N5
• Calculated formula: C13 H21 N5
• Title of publication: Uncovering diverse reactivity of NHCs with diazoalkane: C-H activation, C=C bond formation, and access to N-heterocyclic methylenehydrazine
• Authors of publication: Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya Singha
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 12.151 ± 0.0004 Å
• b: 11.9324 ± 0.0005 Å
• c: 18.7244 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2714.86 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No