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Information card for entry 4037302
Preview
Coordinates | 4037302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H37 N5 O8 |
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Calculated formula | C31 H37 N5 O8 |
SMILES | O=C1N(C[C@H]([C@@H]1C(C(=O)OCC)C(=O)OCC)[C@H](On1nnc2c1cccc2)c1cc(N(=O)=O)ccc1)CC1CCCCC1.O=C1N(C[C@@H]([C@H]1C(C(=O)OCC)C(=O)OCC)[C@@H](On1nnc2c1cccc2)c1cc(N(=O)=O)ccc1)CC1CCCCC1 |
Title of publication | Intramolecular [2 + 2] and [4 + 2] Cycloaddition Reactions of Cinnamylamides of Ethenetricarboxylate in Sequential Processes. |
Authors of publication | Yamazaki, Shoko; Sugiura, Hirotaka; Ohashi, Shinnosuke; Ishizuka, Keisuke; Saimu, Rina; Mikata, Yuji; Ogawa, Akiya |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 22 |
Pages of publication | 10863 - 10886 |
a | 11.5911 ± 0.0012 Å |
b | 12.1293 ± 0.0015 Å |
c | 12.5797 ± 0.0013 Å |
α | 76.989 ± 0.006° |
β | 62.67 ± 0.004° |
γ | 72.283 ± 0.005° |
Cell volume | 1489 ± 0.3 Å3 |
Cell temperature | 153 K |
Ambient diffraction temperature | 153 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 | 0.0466 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.1038 |
Weighted residual factors for all reflections included in the refinement | 0.1104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71075 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/4037302.html
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Users of the data should acknowledge the original authors of the
structural data.