Information card for entry 1520596

Structure parameters

• Common name: EM07-137C
• Chemical name: sarpong107
• Formula: C26 H29 N3 O3
• Calculated formula: C26 H29 N3 O3
• SMILES: [C@]123Cc4c5ccc6c(C=CC(C)(C)O6)c5[nH]c4C([C@H]1C[C@]1(CCCN1C2=O)C(=O)N3)(C)C
• 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: 8.7961 ± 0.0004 Å
• b: 9.7026 ± 0.0005 Å
• c: 35.0914 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2994.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No