Information card for entry 7125275

Structure parameters

• Formula: C26 H24 O3
• Calculated formula: C26 H24 O3
• Title of publication: Regioselective, cascade [3+2] annulation of β-naphthols (resorcinols) with Z-enoate propargylic alcohols: a novel entry for the synthesis of complex naphtho(benzo)furans.
• Authors of publication: Tharra, Prabhakararao; Baire, Beeraiah
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 99
• Pages of publication: 14290 - 14293
• a: 8.9587 ± 0.0007 Å
• b: 8.4815 ± 0.0005 Å
• c: 27.445 ± 0.002 Å
• α: 90°
• β: 92.802 ± 0.004°
• γ: 90°
• Cell volume: 2082.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0637
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No