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Information card for entry 4032204
Preview
Coordinates | 4032204.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H19 N O2 |
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Calculated formula | C24 H19 N O2 |
SMILES | O=C([C@@H]1[C@@]2(c3c(N(C2=O)C)cccc3)[C@H]1c1ccccc1)c1ccccc1.O=C([C@H]1[C@]2(c3c(N(C2=O)C)cccc3)[C@@H]1c1ccccc1)c1ccccc1 |
Title of publication | Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives. |
Authors of publication | Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 6 |
Pages of publication | 3252 - 3261 |
a | 8.962 ± 0.005 Å |
b | 16.83 ± 0.008 Å |
c | 12.534 ± 0.006 Å |
α | 90° |
β | 93.461 ± 0.007° |
γ | 90° |
Cell volume | 1887.1 ± 1.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.1198 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.1547 |
Weighted residual factors for all reflections included in the refinement | 0.1944 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
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/4032204.html
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