Information card for entry 1572845

Structure parameters

• Formula: C23 H40 N6 O4
• Calculated formula: C23 H40 N6 O4
• 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: 13.505 ± 0.003 Å
• b: 12.601 ± 0.002 Å
• c: 17.615 ± 0.003 Å
• α: 90°
• β: 110.277 ± 0.006°
• γ: 90°
• Cell volume: 2811.9 ± 0.9 ų
• Cell temperature: 224 ± 2 K
• Ambient diffraction temperature: 224 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No