Information card for entry 7251020

Structure parameters

• Formula: C25 H17 N3 O
• Calculated formula: C25 H17 N3 O
• Title of publication: An unexpected transition-metal free regioselective cyclization of alkynyl-tethered indoles to prepare indole-fused azepino[2,1-b]quinazolinones and spiroindole-pyrrolo[2,1-b]quinazolinones
• Authors of publication: Zou, Pei-Sen; Geng, Yi-Fan; Liu, Xiao-Qing; Su, Jun-Cheng; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 45
• Pages of publication: 14556 - 14563
• a: 11.4831 ± 0.0003 Å
• b: 11.2094 ± 0.0004 Å
• c: 15.2029 ± 0.0005 Å
• α: 90°
• β: 92.885 ± 0.003°
• γ: 90°
• Cell volume: 1954.42 ± 0.11 ų
• Cell temperature: 294.24 ± 0.16 K
• Ambient diffraction temperature: 294.15 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: 0.1347
• Residual factor for significantly intense reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.316
• Weighted residual factors for all reflections included in the refinement: 0.3203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No