Information card for entry 7119886

Structure parameters

• Formula: C19 H22 O5
• Calculated formula: C19 H22 O5
• SMILES: c1ccccc1C(C(=O)OC)C1=CCCC(=C\C(=O)OC(C)C)/O1
• Title of publication: A controlled selective synthesis of dihydropyrans through tandem reaction of alkynes with diazo compounds.
• Authors of publication: Min, Junxiang; Xu, Guangyang; Sun, Jiangtao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 4350 - 4353
• a: 13.392 ± 0.003 Å
• b: 9.3651 ± 0.0019 Å
• c: 14.198 ± 0.003 Å
• α: 90°
• β: 96.308 ± 0.005°
• γ: 90°
• Cell volume: 1769.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No