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CIF Information Card
Information card for 2234430
2234429 << 2234430 >> 2234431Preview
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Coordinates |
2234430.cif |
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Structure factors |
2234430.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 3-Oxapentane-1,5-diyl dicarbamate |
| Formula | - C6 H12 N2 O5 - |
| Calculated formula | - C6 H12 N2 O5 - |
| Title of publication | 3-Oxapentane-1,5-diyl dicarbamate |
| Authors of publication | Li, Zhi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1171 |
| a | 14.263 ± 0.004 Å |
| b | 5.1412 ± 0.0015 Å |
| c | 12.276 ± 0.004 Å |
| α | 90° |
| β | 99.393 ± 0.005° |
| γ | 90° |
| Cell volume | 888.1 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0391 |
| Residual factor for observed reflections | 0.0305 |
| Weighted residual factors for the observed reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for observed reflections | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |