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Information card for entry 1502256
Preview
Coordinates | 1502256.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24.25 N2 O5 S |
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Calculated formula | C24 H24.683 N2 O5 S |
SMILES | C1(=O)c2ccccc2N([C@@]21C(=C)[C@H](C(C)C)N(C2)S(=O)(=O)c1ccc(cc1)C)C(=O)OC.C1(=O)c2ccccc2N([C@]21C(=C)[C@@H](C(C)C)N(C2)S(=O)(=O)c1ccc(cc1)C)C(=O)OC |
Title of publication | Regiodivergent annulation of alkynyl indoles to construct spiro-pseudoindoxyl and tetrahydro-β-carbolines. |
Authors of publication | Zhang, Yong-Qiang; Zhu, Dao-Yong; Jiao, Zhi-Wei; Li, Bao-Sheng; Zhang, Fu-Min; Tu, Yong-Qiang; Bi, Zhigang |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 13 |
Pages of publication | 3458 - 3461 |
a | 6.5965 ± 0.0018 Å |
b | 31.133 ± 0.009 Å |
c | 11.021 ± 0.003 Å |
α | 90° |
β | 100.454 ± 0.002° |
γ | 90° |
Cell volume | 2225.8 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0737 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1502256.html
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Users of the data should acknowledge the original authors of the
structural data.