Information card for entry 7126877

Structure parameters

• Formula: C23 H20 O3
• Calculated formula: C23 H20 O3
• Title of publication: Catalytic regio- and stereoselective intermolecular [5+2] cycloaddition via conjugative activation of oxidopyrylium.
• Authors of publication: Zhang, Ling; Shi, Qiu; Cao, Tongxiang; Zhu, Shifa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 66
• Pages of publication: 9533 - 9536
• a: 6.8575 ± 0.0003 Å
• b: 17.6675 ± 0.0007 Å
• c: 29.0079 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3514.4 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No