Information card for entry 7159438

Structure parameters

• Formula: C23 H16 I2 O3
• Calculated formula: C23 H16 I2 O3
• SMILES: [C@H]1([C@H](c2c(c(cc(c2)I)I)O1)CC(=O)c1ccccc1)C(=O)c1ccccc1
• Title of publication: A reusable polymer anchored pyridine mediated formal [4 + 1] annulation reaction for the diastereoselective synthesis of 2,3-dihydrobenzofurans.
• Authors of publication: Kumari, Akanksha; Jain, Anshul; Shukla, Khyati; Patra, Ranjan; Rana, Nirmal K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 27
• Pages of publication: 5542 - 5546
• a: 8.1476 ± 0.0005 Å
• b: 9.0775 ± 0.0006 Å
• c: 27.2326 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2014.1 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0216
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No