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Information card for entry 4029975
Preview
Coordinates | 4029975.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H36 N2 O5 |
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Calculated formula | C27 H35.8 N2 O5 |
SMILES | O=C1N[C@H](C(=O)N2[C@H](C(=O)O[C@@H](CC[C@H](C=C(C(=O)[C@@H]1C)C)C)C)CCC2)Cc1ccccc1 |
Title of publication | Stereoselective total synthesis of marine cyclodepsipeptide calcaripeptides a-C. |
Authors of publication | Das, Sayantan; Goswami, Rajib Kumar |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 20 |
Pages of publication | 9778 - 9791 |
a | 9.6062 ± 0.0014 Å |
b | 18.877 ± 0.003 Å |
c | 20.063 ± 0.003 Å |
α | 107.633 ± 0.009° |
β | 98.257 ± 0.01° |
γ | 97.712 ± 0.009° |
Cell volume | 3369.8 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1944 |
Residual factor for significantly intense reflections | 0.081 |
Weighted residual factors for significantly intense reflections | 0.1786 |
Weighted residual factors for all reflections included in the refinement | 0.2526 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4029975.html
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Users of the data should acknowledge the original authors of the
structural data.