Information card for entry 1506965

Structure parameters

• Formula: C24 H23 Cl O4
• Calculated formula: C24 H23 Cl O4
• SMILES: Clc1ccc(C(=O)O[C@@]([C@@H](C(=O)OCC)C)(C)c2ccc3ccccc3c2)cc1.Clc1ccc(C(=O)O[C@]([C@H](C(=O)OCC)C)(C)c2ccc3ccccc3c2)cc1
• Title of publication: In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species.
• Authors of publication: Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 4475 - 4478
• a: 9.4195 ± 0.0003 Å
• b: 21.7175 ± 0.0006 Å
• c: 10.4372 ± 0.0003 Å
• α: 90°
• β: 90.8136 ± 0.0007°
• γ: 90°
• Cell volume: 2134.9 ± 0.11 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 2.229
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No