Information card for entry 1543117

Structure parameters

• Formula: C23 H33 Br2 N O6 S
• Calculated formula: C23 H33 Br2 N O6 S
• SMILES: Brc1c(OC)cc([C@@H](C=C)[C@@](NS(C(C)(C)C)=O)(C(=O)OCC)CCC(=O)OCC)c(Br)c1
• Title of publication: Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.
• Authors of publication: Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1996 - 1999
• a: 11.7774 ± 0.0006 Å
• b: 14.2384 ± 0.0007 Å
• c: 16.4779 ± 0.0008 Å
• α: 90°
• β: 93.145 ± 0.002°
• γ: 90°
• Cell volume: 2759 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No