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Information card for entry 4029383
Preview
Coordinates | 4029383.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H21 N O |
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Calculated formula | C23 H21 N O |
SMILES | O1N(c2ccccc2)[C@H](C(=C[C@@H]1c1ccccc1)c1ccccc1)C.O1N(c2ccccc2)[C@@H](C(=C[C@H]1c1ccccc1)c1ccccc1)C |
Title of publication | Catalytic Formal [4 + 2] Cycloadditions between Unactivated Allenes and N-Hydroxyaniline Catalyzed by AuCl3/CuCl2/O2. |
Authors of publication | Chen, Jian-Ming; Chang, Chin-Jung; Ke, Yao-Jin; Liu, Rai-Shung |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 10 |
Pages of publication | 4306 - 4311 |
a | 5.6805 ± 0.0004 Å |
b | 10.0159 ± 0.0006 Å |
c | 15.1868 ± 0.0009 Å |
α | 91.566 ± 0.004° |
β | 97.711 ± 0.003° |
γ | 96.58 ± 0.003° |
Cell volume | 849.8 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0626 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.1096 |
Weighted residual factors for all reflections included in the refinement | 0.1479 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
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/4029383.html
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