Information card for entry 1554893

Structure parameters

• Formula: C21 H19 Cl O4
• Calculated formula: C21 H19 Cl O4
• SMILES: Clc1ccc([C@H]2C=C(O[C@@H]3Oc4c(cccc4)C[C@H]23)C(=O)OCC)cc1
• 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: 10.5134 ± 0.0013 Å
• b: 7.5193 ± 0.0009 Å
• c: 22.921 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1812 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No