Information card for entry 7133133

Structure parameters

• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• Title of publication: Macrocyclization of carbon dioxide with 3-triflyloxybenzynes and tetrahydrofuran: straightforward access to 14-membered macrolactones.
• Authors of publication: Liu, Hongjian; Jiang, Huanfeng; Qi, Chaorong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 52
• Pages of publication: 6639 - 6642
• a: 10.7822 ± 0.0009 Å
• b: 10.9047 ± 0.0009 Å
• c: 12.0558 ± 0.001 Å
• α: 88.037 ± 0.002°
• β: 83.186 ± 0.003°
• γ: 89.353 ± 0.003°
• Cell volume: 1406.6 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1937
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No