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Information card for entry 4028815
Preview
Coordinates | 4028815.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H10 Br N O2 |
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Calculated formula | C14 H10 Br N O2 |
SMILES | Brc1cccc2OC(=O)N(c12)Cc1ccccc1 |
Title of publication | Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence |
Authors of publication | Ram N. Ram; Vineet Kumar Soni |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 11935 - 11947 |
a | 5.331 ± 0.0008 Å |
b | 10.0858 ± 0.0014 Å |
c | 11.7987 ± 0.0017 Å |
α | 109.051 ± 0.002° |
β | 101.812 ± 0.002° |
γ | 92.026 ± 0.002° |
Cell volume | 583.35 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0207 |
Residual factor for significantly intense reflections | 0.0197 |
Weighted residual factors for significantly intense reflections | 0.053 |
Weighted residual factors for all reflections included in the refinement | 0.0535 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/4028815.html
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