Information card for entry 1504114

Structure parameters

• Formula: C24 H18 Cl2 O2
• Calculated formula: C24 H18 Cl2 O2
• SMILES: c1(ccc(cc1)C(=O)[C@@H]1Cc2ccccc2[C@H]1CC(=O)c1ccc(Cl)cc1)Cl
• Title of publication: Enantioselective copper-catalyzed reductive Michael cyclizations.
• Authors of publication: Oswald, Claire L.; Peterson, Justine A.; Lam, Hon Wai
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 4504 - 4507
• a: 6.797 ± 0.0003 Å
• b: 27.1487 ± 0.0012 Å
• c: 10.6266 ± 0.0005 Å
• α: 90°
• β: 100.197 ± 0.003°
• γ: 90°
• Cell volume: 1929.95 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No