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Information card for entry 4031881
Preview
Coordinates | 4031881.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H22 N2 O4 |
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Calculated formula | C19 H22 N2 O4 |
SMILES | O=C1N(C)C(=O)[C@@H]2[C@H]1[C@H]1C(=C(C2)C=C)[C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)C)C.O=C1N(C)C(=O)[C@H]2[C@@H]1[C@@H]1C(=C(C2)C=C)[C@H]([C@@H]2[C@H](C1)C(=O)N(C2=O)C)C |
Title of publication | Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes. |
Authors of publication | Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 4 |
Pages of publication | 1461 - 1475 |
a | 6.8438 ± 0.0002 Å |
b | 9.8978 ± 0.0002 Å |
c | 24.5997 ± 0.0006 Å |
α | 90° |
β | 97.1851 ± 0.001° |
γ | 90° |
Cell volume | 1653.26 ± 0.07 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0815 |
Residual factor for significantly intense reflections | 0.0705 |
Weighted residual factors for all reflections | 0.2157 |
Weighted residual factors for significantly intense reflections | 0.2094 |
Weighted residual factors for all reflections included in the refinement | 0.2157 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
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/4031881.html
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Users of the data should acknowledge the original authors of the
structural data.