Information card for entry 4034311

Structure parameters

• Formula: C24 H19 I O4
• Calculated formula: C24 H19 I O4
• SMILES: Ic1ccc(C(=O)C[C@H]2O[C@@]3(OC4(C=CC(=O)C=C4)CC3)c3ccccc23)cc1
• Title of publication: Enantioselective Synthesis of Cyclohexadienone Containing Spiroketals via DyKat Ketalization/oxa-Michael Addition Cascade.
• Authors of publication: Reddy, Reddy Rajasekhar; Panda, Shibaram; Ghorai, Prasanta
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5357 - 5368
• a: 6.8288 ± 0.0005 Å
• b: 10.6374 ± 0.0008 Å
• c: 29.546 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2146.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1057
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No