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Information card for entry 1517550
Preview
Coordinates | 1517550.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H23 N O4 |
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Calculated formula | C27 H23 N O4 |
SMILES | O1C(=C[C@H](C(=C1[C@@H](c1ccccc1)CC)C=O)c1ccccc1)c1ccc(N(=O)=O)cc1.O1C(=C[C@@H](C(=C1[C@H](c1ccccc1)CC)C=O)c1ccccc1)c1ccc(N(=O)=O)cc1 |
Title of publication | N-heterocyclic carbene-promoted annulation reaction of allenals with chalcones: synthesis of polysubstituted pyranyl aldehydes. |
Authors of publication | Ma, Dengke; Qiu, Youai; Dai, Jianxin; Fu, Chunling; Ma, Shengming |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 18 |
Pages of publication | 4742 - 4745 |
a | 10.6719 ± 0.0003 Å |
b | 19.4897 ± 0.0005 Å |
c | 10.9956 ± 0.0003 Å |
α | 90° |
β | 99.063 ± 0.002° |
γ | 90° |
Cell volume | 2258.45 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.0498 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.0996 |
Weighted residual factors for all reflections included in the refinement | 0.1092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/1517550.html
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