Information card for entry 1554892

Structure parameters

• Formula: C20 H18 O4
• Calculated formula: C20 H18 O4
• SMILES: O1C(=C[C@H](c2ccccc2)[C@@H]2[C@@H]1Oc1c(cccc1)C2)C(=O)OC
• Title of publication: Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways
• Authors of publication: Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 1972
• a: 10.3231 ± 0.0013 Å
• b: 8.3376 ± 0.001 Å
• c: 10.651 ± 0.0013 Å
• α: 90°
• β: 116.926 ± 0.002°
• γ: 90°
• Cell volume: 817.35 ± 0.17 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No