Information card for entry 7151224

Structure parameters

• Formula: C23 H33 Cl2 N O5 S
• Calculated formula: C23 H33 Cl2 N O5 S
• SMILES: C(C[C@H](c1cccc(c1)O)NS(C(C)(C)C)=O)c1cc(c(c(c1)OC)OC)OC.C(Cl)Cl
• Title of publication: Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.
• Authors of publication: Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 2193 - 2207
• a: 9.7734 ± 0.0011 Å
• b: 13.3223 ± 0.0016 Å
• c: 20.38 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2653.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No