Information card for entry 7135053

Structure parameters

• Formula: C36 H22 O2
• Calculated formula: C36 H22 O2
• 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: 10.2845 ± 0.0018 Å
• b: 16.121 ± 0.003 Å
• c: 17.626 ± 0.003 Å
• α: 98.505 ± 0.005°
• β: 98.503 ± 0.005°
• γ: 106.719 ± 0.005°
• Cell volume: 2711.5 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No