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Information card for entry 4028342
Preview
Coordinates | 4028342.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H30 Br N O4 |
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Calculated formula | C24 H30 Br N O4 |
SMILES | Brc1ccc(cc1)NC(=O)OC[C@H](C)[C@H]1CCC[C@H](CCOCc2ccccc2)O1.Brc1ccc(cc1)NC(=O)OC[C@@H](C)[C@@H]1CCC[C@@H](CCOCc2ccccc2)O1 |
Title of publication | A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans |
Authors of publication | François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 6075 - 6103 |
a | 18.8892 ± 0.0014 Å |
b | 5.0802 ± 0.0003 Å |
c | 24.1881 ± 0.0018 Å |
α | 90° |
β | 99.713 ± 0.004° |
γ | 90° |
Cell volume | 2287.8 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.1471 |
Residual factor for significantly intense reflections | 0.0888 |
Weighted residual factors for significantly intense reflections | 0.2211 |
Weighted residual factors for all reflections included in the refinement | 0.2509 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4028342.html
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