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Information card for entry 4030054
Preview
Coordinates | 4030054.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H22 N2 O |
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Calculated formula | C20 H22 N2 O |
SMILES | N12[C@@H]3c4n(C)c5ccccc5c4C[C@H]1[C@@H]([C@@H](C3)C(=C)[C@@H]2C)C=O |
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 | 7.7111 ± 0.0016 Å |
b | 10.5325 ± 0.0019 Å |
c | 19.852 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1612.3 ± 0.5 Å3 |
Cell temperature | 174 ± 2 K |
Ambient diffraction temperature | 174 ± 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 | 0.0406 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0958 |
Weighted residual factors for all reflections included in the refinement | 0.0996 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4030054.html
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