Information card for entry 4131634

Structure parameters

• Common name: KK2-194-2
• Chemical name: sarpong126
• Formula: C24 H33 N O5
• Calculated formula: C24 H33 N O5
• SMILES: [C@]12(CN([C@@H]3[C@H]4[C@@]56C=C[C@@H](C[C@H]5[C@]3([C@H](CC1)OC)[C@@H]2C4)C(=O)C6(OC)OC)C(=O)C)C.[C@@]12(CN([C@H]3[C@@H]4[C@]56C=C[C@H](C[C@@H]5[C@@]3([C@@H](CC1)OC)[C@H]2C4)C(=O)C6(OC)OC)C(=O)C)C
• Title of publication: A Unifying Synthesis Approach to the C₁₈-, C₁₉-, and C₂₀-Diterpenoid Alkaloids.
• Authors of publication: Kou, Kevin G. M.; Kulyk, Svitlana; Marth, Christopher J.; Lee, Jack C.; Doering, Nicolle A.; Li, Beryl X.; Gallego, Gary M.; Lebold, Terry P.; Sarpong, Richmond
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 39
• Pages of publication: 13882 - 13896
• a: 8.3725 ± 0.0004 Å
• b: 9.6019 ± 0.0004 Å
• c: 13.9337 ± 0.0006 Å
• α: 96.521 ± 0.002°
• β: 102.919 ± 0.002°
• γ: 104.785 ± 0.002°
• Cell volume: 1038.21 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No