Information card for entry 4030052

Structure parameters

• Formula: C30 H46 N2 O Sn
• Calculated formula: C30 H46 N2 O Sn
• SMILES: [Sn](C(=C)[C@@H](N1[C@@H]2c3[nH]c4ccccc4c3C[C@H]1C(=O)CC2)C)(CCCC)(CCCC)CCCC
• Title of publication: General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.
• Authors of publication: Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 21
• Pages of publication: 10030
• a: 7.3074 ± 0.001 Å
• b: 11.6936 ± 0.0017 Å
• c: 17.175 ± 0.002 Å
• α: 90°
• β: 99.165 ± 0.005°
• γ: 90°
• Cell volume: 1448.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No