Information card for entry 7158430

Structure parameters

• Formula: C34 H20 O2
• Calculated formula: C34 H20 O2
• SMILES: c1ccccc1C#CC(=O)c1ccccc1c1cc(c2ccccc2c1C#Cc1ccccc1)C=O
• Title of publication: Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.
• Authors of publication: Baire, Beeraiah; Santhi, Jampani
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 247 - 251
• a: 31.9258 ± 0.0015 Å
• b: 18.7977 ± 0.0009 Å
• c: 8.245 ± 0.0004 Å
• α: 90°
• β: 96.472 ± 0.002°
• γ: 90°
• Cell volume: 4916.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No