Information card for entry 1504736

Structure parameters

• Formula: C12 H12 Cl4 O5
• Calculated formula: C12 H12 Cl4 O5
• SMILES: [C@@]12([C@H]3[C@@H]([C@](C(=C1Cl)Cl)(C2(OC)OC)Cl)[C@@H](CO)OC3=O)Cl
• Title of publication: A chiral pool approach to the synthesis of optically active tetrahalo norbornyl building blocks.
• Authors of publication: Khan, Faiz Ahmed; Sudheer, Ch
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 3029 - 3032
• a: 7.355 ± 0.0007 Å
• b: 13.6917 ± 0.0012 Å
• c: 14.3079 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1440.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No