Information card for entry 7154358

Structure parameters

• Formula: C19 H19 I O5
• Calculated formula: C19 H19 I O5
• SMILES: Ic1ccc2OC(c3c(c2c1)cc(OC)c(OC)c3C)CC(=O)OC
• Title of publication: A novel enantioselective synthesis of 6H-dibenzopyran derivatives by combined palladium/norbornene and cinchona alkaloid catalysis.
• Authors of publication: Xu, Di; Dai, Li; Catellani, Marta; Motti, Elena; Della Ca', Nicola; Zhou, Zhiming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 2260 - 2263
• a: 18.304 ± 0.005 Å
• b: 4.5035 ± 0.0012 Å
• c: 21.714 ± 0.006 Å
• α: 90°
• β: 95.318 ± 0.003°
• γ: 90°
• Cell volume: 1782.2 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1261
• 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