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Information card for entry 1503285
Preview
Coordinates | 1503285.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H17 N O2 S |
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Calculated formula | C13 H17 N O2 S |
SMILES | [C@H]12Cc3ccccc3C[C@@H]1CCN2S(=O)(=O)C.[C@@H]12Cc3ccccc3C[C@H]1CCN2S(=O)(=O)C |
Title of publication | Diastereo- and enantioselective copper-catalyzed intramolecular carboamination of alkenes for the synthesis of hexahydro-1H-benz[f]indoles. |
Authors of publication | Miao, Lei; Haque, Imranul; Manzoni, Maria R.; Tham, Weng Siong; Chemler, Sherry R. |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 21 |
Pages of publication | 4739 - 4741 |
a | 11.3043 ± 0.0004 Å |
b | 10.2934 ± 0.0003 Å |
c | 10.2398 ± 0.0003 Å |
α | 90° |
β | 91.053 ± 0.001° |
γ | 90° |
Cell volume | 1191.3 ± 0.06 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0419 |
Residual factor for significantly intense reflections | 0.0313 |
Weighted residual factors for significantly intense reflections | 0.0794 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/1503285.html
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