Information card for entry 1572848

Structure parameters

• Formula: C33 H48 N4 O2
• Calculated formula: C33 H48 N4 O2
• 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: 11.1953 ± 0.0007 Å
• b: 13.1685 ± 0.0009 Å
• c: 21.739 ± 0.0015 Å
• α: 90°
• β: 99.457 ± 0.002°
• γ: 90°
• Cell volume: 3161.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0881
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No