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Information card for entry 1502254
Preview
Coordinates | 1502254.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H28 N2 O3 S |
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Calculated formula | C32 H28 N2 O3 S |
SMILES | c1ccccc1Cn1c2ccccc2c2C3(CN(Cc12)S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1O3 |
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 | 9.135 ± 0.006 Å |
b | 10.753 ± 0.007 Å |
c | 13.533 ± 0.008 Å |
α | 78.378 ± 0.008° |
β | 85.363 ± 0.008° |
γ | 84.178 ± 0.008° |
Cell volume | 1292.9 ± 1.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1572 |
Residual factor for significantly intense reflections | 0.0822 |
Weighted residual factors for significantly intense reflections | 0.1683 |
Weighted residual factors for all reflections included in the refinement | 0.1992 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/1502254.html
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