Information card for entry 4036343

Structure parameters

• Formula: C20 H20 O2
• Calculated formula: C20 H22 O2
• SMILES: O1c2c(cccc2)[C@H]2O[C@H](C[C@@H]2C1(C)C)c1ccc(cc1)C
• Title of publication: Synthesis of Furo[3,2-c]benzopyrans via an Intramolecular [4 + 2] Cycloaddition Reaction of o-Quinonemethides.
• Authors of publication: Zhao, Li-Ming; Zhang, Ai-Li; Gao, Hua-Shuai; Zhang, Jie-Huan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 20
• Pages of publication: 10353 - 10358
• a: 8.033 ± 0.002 Å
• b: 10.739 ± 0.003 Å
• c: 18.778 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1619.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No