Information card for entry 2000521

Structure parameters

• Formula: C11 H19 I O2
• Calculated formula: C11 H19 I O2
• SMILES: IC(C(=O)C(C)(C)C)C(=O)C(C)(C)C
• Title of publication: 4-Iodo-2,2,6,6-tetramethylheptane-3,5-dione
• Authors of publication: Sans-Lenain, S.; Reynes, A.; Gleizes, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1788 - 1791
• a: 9.188 ± 0.003 Å
• b: 14.229 ± 0.002 Å
• c: 10.628 ± 0.012 Å
• α: 90°
• β: 104.74 ± 0.06°
• γ: 90°
• Cell volume: 1343.7 ± 1.6 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No