Information card for entry 7158428

Structure parameters

• Formula: C30 H28 O2
• Calculated formula: C30.004 H28.009 O2
• 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: 8.9341 ± 0.0004 Å
• b: 10.7311 ± 0.0005 Å
• c: 12.8284 ± 0.0005 Å
• α: 73.101 ± 0.002°
• β: 82.359 ± 0.002°
• γ: 83.312 ± 0.002°
• Cell volume: 1162.4 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0982
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No