Information card for entry 7113224

Structure parameters

• Formula: C16 H22 Br2 O5
• Calculated formula: C16 H22 Br2 O5
• SMILES: Br[C@]12C(OC)(OC)[C@](Br)([C@@H]3[C@H]1CCC3)[C@]1(OC[C@H](OC)C1)C2=O.Br[C@@]12C(OC)(OC)[C@@](Br)([C@H]3[C@@H]1CCC3)[C@@]1(OC[C@@H](OC)C1)C2=O
• Title of publication: Lead(IV) acetate: intriguing reactivity profile
• Authors of publication: Khan, Faiz Ahmed; Sudheer, Ch.; Soma, Laxminarayana
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 41
• Pages of publication: 4239 - 4241
• a: 8.9742 ± 0.0008 Å
• b: 17.9301 ± 0.0016 Å
• c: 10.6917 ± 0.001 Å
• α: 90°
• β: 106.031 ± 0.002°
• γ: 90°
• Cell volume: 1653.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102219
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No