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Information card for entry 4028814
Preview
Coordinates | 4028814.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H10 Cl N O2 |
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Calculated formula | C14 H10 Cl N O2 |
SMILES | Clc1c2N(C(=O)Oc2ccc1)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 | 5.8376 ± 0.0011 Å |
b | 8.6923 ± 0.0016 Å |
c | 12.493 ± 0.002 Å |
α | 75.098 ± 0.003° |
β | 85.414 ± 0.003° |
γ | 74.855 ± 0.003° |
Cell volume | 591.27 ± 0.18 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 | 0.0397 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0859 |
Weighted residual factors for all reflections included in the refinement | 0.0873 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
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/4028814.html
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