Information card for entry 7154305

Structure parameters

• Formula: C11 H8 Cl4 O2
• Calculated formula: C11 H8 Cl4 O2
• SMILES: ClC1=C(Cl)C(=O)[C@]2(Cl)[C@H]3C[C@@](C(=O)C3)(C)[C@]12Cl.ClC1=C(Cl)C(=O)[C@@]2(Cl)[C@@H]3C[C@](C(=O)C3)(C)[C@@]12Cl
• Title of publication: BF3-Et2O mediated skeletal rearrangements of norbornyl appended cyclopentanediols.
• Authors of publication: Nageswara Rao, Chintada; Ahmed Khan, Faiz
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2768 - 2775
• a: 8.932 ± 0.005 Å
• b: 11.791 ± 0.005 Å
• c: 11.668 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.317 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1212.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• 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
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No