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Information card for entry 4036986
Preview
Coordinates | 4036986.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H27 Cl2 I2 N3 O5 S2 |
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Calculated formula | C27 H27 Cl2 I2 N3 O5 S2 |
Title of publication | Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines. |
Authors of publication | Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 15 |
Pages of publication | 6496 - 6504 |
a | 9.2918 ± 0.0005 Å |
b | 20.7021 ± 0.001 Å |
c | 16.4894 ± 0.0008 Å |
α | 90° |
β | 98.469 ± 0.002° |
γ | 90° |
Cell volume | 3137.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0682 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.1037 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
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/4036986.html
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