Information card for entry 7128835

Structure parameters

• Formula: C18 H18 O2
• Calculated formula: C18 H18 O2
• SMILES: O1c2c(C(=C\c3ccc(cc3)C)\CC1(O)C)cccc2
• Title of publication: Rh(III)-Catalyzed and synergistic dual directing group-enabled redox-neutral [3+3] annulation of <i>N</i>-phenoxyacetamides with α-allenols.
• Authors of publication: Chen, Fangyuan; Tang, Junyuan; Wei, Yinhui; Tian, Jingyuan; Gao, Hui; Yi, Wei; Zhou, Zhi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9284 - 9287
• a: 8.3313 ± 0.0017 Å
• b: 8.8068 ± 0.0015 Å
• c: 10.2625 ± 0.0015 Å
• α: 77.537 ± 0.014°
• β: 72.055 ± 0.016°
• γ: 75.3 ± 0.016°
• Cell volume: 685.1 ± 0.2 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.1104
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No