Information card for entry 1572840

Structure parameters

• Formula: C31 H48 N4 Si
• Calculated formula: C31 H48 N4 Si
• 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: 8.281 ± 0.004 Å
• b: 10.126 ± 0.005 Å
• c: 19.388 ± 0.008 Å
• α: 86.625 ± 0.009°
• β: 85.739 ± 0.01°
• γ: 72.015 ± 0.011°
• Cell volume: 1540.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No