Information card for entry 7226935

Structure parameters

• Formula: C27 H26 O
• Calculated formula: C27 H26 O
• SMILES: O=C(/C=C/C=C(\c1c(cc(C)cc1C)C)c1ccc(cc1)C)c1ccccc1
• Title of publication: A controlled tandem transformation of conjugated enynones with arenes under superelectrophilic activation leading to aryl-substituted dienones and indenes
• Authors of publication: Saulnier, Steve; Golovanov, Alexander; Vasilyev, Aleksander
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.046 ± 0.0009 Å
• b: 10.9526 ± 0.001 Å
• c: 11.2956 ± 0.001 Å
• α: 106.357 ± 0.008°
• β: 108.462 ± 0.008°
• γ: 106.315 ± 0.008°
• Cell volume: 1033.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No