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Information card for entry 1517487
Preview
Coordinates | 1517487.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H17 N O4 |
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Calculated formula | C14 H17 N O4 |
SMILES | O=C1N2CCC[C@H]2CC2=CC(=O)CC[C@]12C(=O)OC.O=C1N2CCC[C@@H]2CC2=CC(=O)CC[C@@]12C(=O)OC |
Title of publication | Total Synthesis of Aspeverin via an Iodine(III)-Mediated Oxidative Cyclization. |
Authors of publication | Levinson, Adam M. |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 18 |
Pages of publication | 4904 - 4907 |
a | 6.9183 ± 0.0008 Å |
b | 9.7324 ± 0.0011 Å |
c | 10.5986 ± 0.0012 Å |
α | 68.2765 ± 0.0013° |
β | 79.1821 ± 0.0015° |
γ | 79.3466 ± 0.0015° |
Cell volume | 645.93 ± 0.13 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 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 | 0.0398 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.107 |
Weighted residual factors for all reflections included in the refinement | 0.1104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/1517487.html
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