Information card for entry 1505932

Structure parameters

• Formula: C26 H29 N O4 S
• Calculated formula: C26 H29 N O4 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)n1c2ccc3C(=O)[C@H]4C(C)(C)OC(C)(C)[C@@H]4Cc3c2c(C)c1.Cc1ccc(cc1)S(=O)(=O)n1c2ccc3C(=O)[C@@H]4C(C)(C)OC(C)(C)[C@H]4Cc3c2c(C)c1
• Title of publication: Synthesis of the western half of the lolicines and lolitrems.
• Authors of publication: England, Dylan B.; Magolan, Jakob; Kerr, Michael A.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 2209 - 2212
• a: 10.8414 ± 0.0008 Å
• b: 10.9897 ± 0.0006 Å
• c: 11.1654 ± 0.0006 Å
• α: 82.275 ± 0.003°
• β: 80.529 ± 0.003°
• γ: 63.336 ± 0.003°
• Cell volume: 1169.84 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No