Information card for entry 7160518

Structure parameters

• Formula: C18 H14 Cl N O3
• Calculated formula: C18 H14 Cl N O3
• Title of publication: A formal [4 + 1] annulation incorporating styrylogous aldol condensation to access functionalized 2-styryl-benzofurans.
• Authors of publication: Reddy, Manyam Subbi; Kamala, Kandivalasa; Suresh, Surisetti
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 5096 - 5100
• a: 7.3216 ± 0.001 Å
• b: 17.174 ± 0.002 Å
• c: 12.5583 ± 0.0016 Å
• α: 90°
• β: 100.459 ± 0.004°
• γ: 90°
• Cell volume: 1552.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No