Information card for entry 1511975

Structure parameters

• Formula: C20 H22 O
• Calculated formula: C20 H22 O
• SMILES: O=C(c1ccc2ccccc2c1)/C(=C/C1CCCCC1)C
• Title of publication: Palladium-Catalyzed Formal Hydroacylation of Allenes Employing Acid Chlorides and Hydrosilanes
• Authors of publication: Fujihara, Tetsuaki; Tatsumi, Kenta; Terao, Jun; Tsuji, Yasushi
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 2286
• a: 7.6708 ± 0.0009 Å
• b: 8.4422 ± 0.0011 Å
• c: 12.7475 ± 0.0014 Å
• α: 90°
• β: 105.477 ± 0.006°
• γ: 90°
• Cell volume: 795.57 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No