Information card for entry 4022481

Structure parameters

• Formula: C23 H33 I O3
• Calculated formula: C23 H33 I O3
• SMILES: IC[C@](OC)(c1ccccc1)[C@H]1OC(O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]12C)(C)C
• 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: 8.47 ± 0.06 Å
• b: 13.71 ± 0.015 Å
• c: 19.471 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2260 ± 16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0998
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No