Information card for entry 1507264

Structure parameters

• Formula: C18 H16 O4 S
• Calculated formula: C18 H16 O4 S
• SMILES: S(=O)(=O)([C@H]1[C@@H]2COC[C@@H]2C(=O)c2c1cccc2)c1ccccc1
• Title of publication: Dearomatizing cyclization of arylsulfonylalkoxymethyl lithiums: a route to the podophyllotoxin skeleton.
• Authors of publication: Clayden, Jonathan; Kenworthy, Martin N.; Helliwell, Madeleine
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 831 - 834
• a: 11.32 ± 0.02 Å
• b: 5.801 ± 0.005 Å
• c: 11.58 ± 0.02 Å
• α: 90°
• β: 102.02 ± 0.11°
• γ: 90°
• Cell volume: 744 ± 2 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: 0.0293
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No