Information card for entry 7159488

Structure parameters

• Formula: C30 H37 N O3 S
• Calculated formula: C30 H37 N O3 S
• SMILES: O[C@@H]1C([C@H]2[C@@](C)([C@@H]3[C@](CC2)(C)c2c(n(S(=O)(=O)c4ccc(cc4)C)c4c2cccc4)C3)CC1)(C)C.O[C@H]1C([C@@H]2[C@](C)([C@H]3[C@@](CC2)(C)c2c(n(S(=O)(=O)c4ccc(cc4)C)c4c2cccc4)C3)CC1)(C)C
• Title of publication: A biomimetic approach for the concise total synthesis of greenwaylactams A-C.
• Authors of publication: Kratena, Nicolas; Weil, Matthias; Gärtner, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 31
• Pages of publication: 6317 - 6319
• a: 15.0786 ± 0.0004 Å
• b: 21.5444 ± 0.0007 Å
• c: 7.8455 ± 0.0002 Å
• α: 90°
• β: 93.189 ± 0.002°
• γ: 90°
• Cell volume: 2544.74 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No