Information card for entry 7064035

Structure parameters

• Formula: C14 H15 N3 O
• Calculated formula: C14 H15 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: 10.1162 ± 0.0007 Å
• b: 11.1065 ± 0.0009 Å
• c: 10.7813 ± 0.0008 Å
• α: 90°
• β: 100.768 ± 0.003°
• γ: 90°
• Cell volume: 1190.01 ± 0.15 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.0414
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No