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Information card for entry 4029598
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4029598.cif |
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Original paper (by DOI) | HTML |
Chemical name | Methyl 2-fluoro-2-(2-nitrophenyl)acetate |
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Formula | C9 H8 F N O4 |
Calculated formula | C9 H8 F N O4 |
SMILES | FC(c1c(N(=O)=O)cccc1)C(=O)OC |
Title of publication | Syntheses of fluorooxindole and 2-fluoro-2-arylacetic acid derivatives from diethyl 2-fluoromalonate ester. |
Authors of publication | Harsanyi, Antal; Sandford, Graham; Yufit, Dmitri S.; Howard, Judith Ak |
Journal of publication | Beilstein journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 10 |
Pages of publication | 1213 - 1219 |
a | 7.2946 ± 0.0007 Å |
b | 16.473 ± 0.002 Å |
c | 7.7761 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 934.4 ± 0.2 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.086 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1065 |
Weighted residual factors for all reflections included in the refinement | 0.1266 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | Mo |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4029598.html
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