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Information card for entry 4036194
Preview
Coordinates | 4036194.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H18 N2 O5 |
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Calculated formula | C16 H18 N2 O5 |
SMILES | O1[C@H]2C[C@H](N([C@@H]2CC(=C)c2c1cccc2N(=O)=O)C(=O)OC)C |
Title of publication | Total synthesis of the tetracyclic indole alkaloid ht-13-B. |
Authors of publication | Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 9 |
Pages of publication | 4783 - 4790 |
a | 7.5978 ± 0.0002 Å |
b | 8.3479 ± 0.0002 Å |
c | 12.4229 ± 0.0003 Å |
α | 90° |
β | 97.7471 ± 0.0012° |
γ | 90° |
Cell volume | 780.74 ± 0.03 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0466 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.0974 |
Weighted residual factors for all reflections included in the refinement | 0.1029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4036194.html
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Users of the data should acknowledge the original authors of the
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