Information card for entry 7112676

Structure parameters

• Formula: C24 H30 O3
• Calculated formula: C24 H30 O3
• SMILES: O1[C@@]2(O[C@H](c3ccccc3)[C@H](O[C@H](CC2)C)c2ccccc2)CCC[C@@H]1C
• Title of publication: Intramolecular iodoetherification of ene or diene ketals: facile synthesis of spiroketals.
• Authors of publication: Fujioka, Hiromichi; Nakahara, Kenji; Hirose, Hideki; Hirano, Kie; Oki, Tomohiro; Kita, Yasuyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 1060 - 1062
• a: 19.207 ± 0.002 Å
• b: 5.884 ± 0.001 Å
• c: 18.682 ± 0.002 Å
• α: 90°
• β: 95.628 ± 0.008°
• γ: 90°
• Cell volume: 2101.1 ± 0.5 ų
• Cell temperature: 291.1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No