Information card for entry 7064033

Structure parameters

• Formula: C16 H19 N3 O
• Calculated formula: C16 H19 N3 O
• Title of publication: Synthesis of a pyrroloquinoline-containing polycyclic scaffold via decarboxylative [3+2] cycloaddition and aza-Wittig reactions
• Authors of publication: Price, Lee; Li, Zonyuan; Zhang, Wei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 18970 - 18973
• a: 24.7774 ± 0.0012 Å
• b: 24.7774 ± 0.0012 Å
• c: 14.0219 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7455 ± 0.8 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No