Information card for entry 1507265

Structure parameters

• Formula: C19 H18 O4 S
• Calculated formula: C19 H18 O4 S
• SMILES: c1(ccccc1)S(=O)(=O)[C@H]1c2c(cccc2)C(=O)[C@H]2[C@@H]1CO[C@@H]2C
• 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: 11.9356 ± 0.0015 Å
• b: 6.2078 ± 0.0008 Å
• c: 11.9749 ± 0.0015 Å
• α: 90°
• β: 115.838 ± 0.002°
• γ: 90°
• Cell volume: 798.57 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No