Information card for entry 7160882

Structure parameters

• Formula: C18 H17 N3 O2
• Calculated formula: C18 H17 N3 O2
• Title of publication: Pd-Catalyzed Efficient Synthesis of Benzo[4,5]imidazo[1,2-a]indoles with Diaziridinone
• Authors of publication: Wang, Jianjun; Zhang, Xiao; Zhang, Shiwei; Liu, Wei; Shi, Yian
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 6.8712 ± 0.0002 Å
• b: 24.6723 ± 0.0007 Å
• c: 9.0721 ± 0.0003 Å
• α: 90°
• β: 91.358 ± 0.002°
• γ: 90°
• Cell volume: 1537.55 ± 0.08 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No