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Information card for entry 4029649
Preview
Coordinates | 4029649.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H24 O5 |
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Calculated formula | C19 H24 O5 |
SMILES | O(C(=O)C1(CCC(=C)[C@]23[C@H](C(=O)C=C12)CCCCC3)C(=O)OC)C.O(C(=O)C1(CCC(=C)[C@@]23[C@@H](C(=O)C=C12)CCCCC3)C(=O)OC)C |
Title of publication | Nucleophilic Addition/Double Cyclization Cascade Processes between Enynyl Fischer Carbene Complexes and Alkynyl Malonates. |
Authors of publication | Alvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Angel L |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 14 |
Pages of publication | 6419 - 6423 |
a | 7.69 ± 0.0003 Å |
b | 10.0039 ± 0.0005 Å |
c | 11.5864 ± 0.0008 Å |
α | 69.737 ± 0.001° |
β | 83.163 ± 0.001° |
γ | 80.305 ± 0.001° |
Cell volume | 822.46 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0409 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.1061 |
Weighted residual factors for all reflections included in the refinement | 0.1068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4029649.html
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Users of the data should acknowledge the original authors of the
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