Information card for entry 7135051

Structure parameters

• Formula: C25 H18 O3
• Calculated formula: C25 H18 O3
• Title of publication: Divergent coupling of <i>ortho</i>-alkynylnaphthols and <i>p</i>-quinone monoketals through a Michael addition/intramolecular annulation cascade to access benzofuryl β-naphthols.
• Authors of publication: Begum, Fathima; Bhumannagari, Haripriya; Balasubramanian, Sridhar; Nayani, Kiranmai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 77
• Pages of publication: 15003 - 15006
• a: 23.6123 ± 0.0006 Å
• b: 9.4715 ± 0.0002 Å
• c: 17.1625 ± 0.0004 Å
• α: 90°
• β: 100.183 ± 0.001°
• γ: 90°
• Cell volume: 3777.83 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No