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CIF Information Card
Information card for 2015316
2015315 << 2015316 >> 2015317Preview
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Coordinates |
2015316.cif |
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Structure factors |
2015316.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 2-(Methoxycarbonyl)phenylboronic acid |
| Formula | - C8 H9 B O4 - |
| Calculated formula | - C8 H9 B O4 - |
| Title of publication | 2-(Methoxycarbonyl)phenylboronic acid |
| Authors of publication | Lulinski, Sergiusz; Serwatowski, Janusz |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | o301 - o303 |
| a | 8.2764 ± 0.0002 Å |
| b | 19.7124 ± 0.0006 Å |
| c | 8.7321 ± 0.0003 Å |
| α | 90° |
| β | 115.007 ± 0.003° |
| γ | 90° |
| Cell volume | 1291.07 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/m 1 |
| Hall symmetry space group | -P 2yb |
| Residual factor for all reflections | 0.0378 |
| Residual factor for observed reflections | 0.0325 |
| Weighted residual factors for the observed reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for observed reflections | 1.124 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |