Information card for entry 7156567

Structure parameters

• Formula: C18 H14 O3
• Calculated formula: C18 H14 O3
• Title of publication: Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.
• Authors of publication: Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 8965 - 8975
• a: 18.835 ± 0.0008 Å
• b: 7.1072 ± 0.0003 Å
• c: 21.7952 ± 0.0009 Å
• α: 90°
• β: 105.284 ± 0.004°
• γ: 90°
• Cell volume: 2814.4 ± 0.2 ų
• Cell temperature: 150.03 ± 0.1 K
• Ambient diffraction temperature: 150.03 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0443
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No