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Information card for entry 4022041
Preview
Coordinates | 4022041.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Paquette 1483 |
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Formula | C13 H13 Br2 N O |
Calculated formula | C13 H13 Br2 N O |
SMILES | Br[C@H]1[C@H]2c3c(cccc3)C(=O)N(CC[C@@H]1Br)C2.Br[C@@H]1[C@@H]2c3c(cccc3)C(=O)N(CC[C@H]1Br)C2 |
Title of publication | Direct Comparison of the Response of Bicyclic Sultam and Lactam Dienes to Photoexcitation. Concerning the Propensity of Differing Bond Types to Bridgehead Nitrogen for Homolytic Cleavage |
Authors of publication | Leo A. Paquette; Robert D. Dura; Nathan Fosnaugh; Marshall Stepanian |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 8438 - 8445 |
a | 7.9218 ± 0.001 Å |
b | 15.295 ± 0.002 Å |
c | 10.2586 ± 0.001 Å |
α | 90° |
β | 99.385 ± 0.006° |
γ | 90° |
Cell volume | 1226.3 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0377 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for significantly intense reflections | 0.0545 |
Weighted residual factors for all reflections included in the refinement | 0.0578 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
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/4022041.html
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