Information card for entry 4022482

Structure parameters

• Formula: C23 H33 I O3
• Calculated formula: C23 H33 I O3
• SMILES: I[C@H]([C@H]1OC(O[C@H]2[C@]1(C)[C@H]1C[C@@H](C2)C1(C)C)(C)C)[C@@H](OC)c1ccccc1
• Title of publication: Total Diastereofacial Selective Iodofunctionalization of Terpene Derivatives Based on Ipy~2~BF~4~
• Authors of publication: José Barluenga; Mónica Álvarez-Pérez; Félix Rodríguez; Fracisco J. Fañanás; José A. Cuesta; Santiago García-Granda
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 6583 - 6586
• a: 13.826 ± 0.0009 Å
• b: 13.826 ± 0.0009 Å
• c: 10.088 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1670.05 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No