Information card for entry 1554891

Structure parameters

• Formula: C21 H21 Cl O5
• Calculated formula: C21 H21 Cl O5
• SMILES: Clc1ccc(cc1)[C@@H]1[C@@H]2[C@@H](O[C@](O)(C(=O)OCC)C1)Oc1c(C2)cccc1
• 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: 7.229 ± 0.004 Å
• b: 11.212 ± 0.006 Å
• c: 22.921 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1857.8 ± 1.7 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: 0.1004
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No