Information card for entry 7103731

Structure parameters

• Formula: C15 H25 I O5
• Calculated formula: C15 H25 I O5
• SMILES: I[C@@H]1[C@]2(O[C@](O)(C[C@@H](O)CC2)[C@@H](C1)C(=O)OC(C)(C)C)C.I[C@H]1[C@@]2(O[C@@](O)(C[C@H](O)CC2)[C@H](C1)C(=O)OC(C)(C)C)C
• Authors of publication: P.Clarke; M.Ebden; M.Grist; C.Wilson
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 6.5249 ± 0.0005 Å
• b: 11.3828 ± 0.0009 Å
• c: 13.3018 ± 0.001 Å
• α: 65.415 ± 0.001°
• β: 77.402 ± 0.001°
• γ: 81.897 ± 0.001°
• Cell volume: 875.35 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No