Information card for entry 1505955

Structure parameters

• Formula: C54 H67 N2 O10 P S2
• Calculated formula: C54 H67 N2 O10 P S2
• SMILES: O1P(=O)(Oc2c(c3c1c(cc(c3)C(C)(C)C)[C@H]1OC[C@H](N1S(=O)(=O)c1c(cc(cc1C)C)C)CC)cc(cc2[C@H]1OC[C@H](N1S(=O)(=O)c1c(cc(cc1C)C)C)CC)C(C)(C)C)Oc1ccccc1
• Title of publication: 3,3'-oxazolidinyl-substituted 2,2'-biphenyldiols: novel tropos ligands with a large induction on the chiral axis.
• Authors of publication: Wünnemann, Stefan; Fröhlich, Roland; Hoppe, Dieter
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 2455 - 2458
• a: 8.793 ± 0.001 Å
• b: 10.789 ± 0.001 Å
• c: 16.09 ± 0.001 Å
• α: 109.16 ± 0.01°
• β: 90.96 ± 0.01°
• γ: 112.66 ± 0.01°
• Cell volume: 1312.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No