Information card for entry 4029686

Structure parameters

• Common name: AMHX-184
• Chemical name: sarpong80
• Formula: C20 H23 N O2
• Calculated formula: C20 H23 N O2
• SMILES: [C@@H]12[C@@](CCC[C@@]1(C(=O)c1ccc(cc1CC2)OC)C=C)(C#N)C.[C@H]12[C@](CCC[C@]1(C(=O)c1ccc(cc1CC2)OC)C=C)(C#N)C
• Title of publication: Studies on c20-diterpenoid alkaloids: synthesis of the hetidine framework and its application to the synthesis of dihydronavirine and the atisine skeleton.
• Authors of publication: Hamlin, Amy M.; Lapointe, David; Owens, Kyle; Sarpong, Richmond
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 15
• Pages of publication: 6783 - 6800
• a: 8.958 ± 0.0004 Å
• b: 17.1507 ± 0.0009 Å
• c: 11.2099 ± 0.0005 Å
• α: 90°
• β: 107.618 ± 0.001°
• γ: 90°
• Cell volume: 1641.46 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No