Information card for entry 1520595

Structure parameters

• Common name: EM03-093B
• Chemical name: sarpong38
• Formula: C15 H20 N2 O3
• Calculated formula: C15 H20 N2 O3
• SMILES: [C@]12(CCC(=O)C([C@@H]1C[C@H]1[C@H](CCN1C2=O)O)(C)C)C#N
• Title of publication: Unified Approach to Prenylated Indole Alkaloids: Total Syntheses of (-)-17-Hydroxy-Citrinalin B, (+)-Stephacidin A, and (+)-Notoamide I.
• Authors of publication: Mercado-Marin, Eduardo V; Sarpong, Richmond
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 5048 - 5052
• a: 7.9384 ± 0.0005 Å
• b: 7.0246 ± 0.0005 Å
• c: 12.9394 ± 0.0008 Å
• α: 90°
• β: 98.464 ± 0.004°
• γ: 90°
• Cell volume: 713.7 ± 0.08 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: 0.0403
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No