Information card for entry 1545471

Structure parameters

• Formula: C34.5 H51 Br O18
• Calculated formula: C34.5 H51 Br O18
• SMILES: Br[C@@H]1[C@@](OC)(OC(=O)C)[C@@]2(OC(=O)O[C@H]3[C@H]2O[C@@H]([C@@H](OC(=O)OC(C)(C)C)[C@@H]3OC(=O)OC(C)(C)C)COC(=O)OC(C)(C)C)C(=CC1=O)OC.CCCCC
• Title of publication: Synthetic Study on Carthamin. 2. Stereoselective Approach to C-Glycosyl Quinochalcone via Desymmetrization.
• Authors of publication: Hayashi, Taiki; Ohmori, Ken; Suzuki, Keisuke
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 866 - 869
• a: 11.1264 ± 0.0005 Å
• b: 23.9534 ± 0.0011 Å
• c: 15.5703 ± 0.0007 Å
• α: 90°
• β: 92.3778 ± 0.0019°
• γ: 90°
• Cell volume: 4146.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1388
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.2461
• Weighted residual factors for all reflections included in the refinement: 0.2955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No