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Information card for entry 1548802
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| Coordinates | 1548802.cif |
|---|---|
| Structure factors | 1548802.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,4-Bis(4-methyl-2-nitrophenoxy)butane |
|---|---|
| Formula | C18 H20 N2 O6 |
| Calculated formula | C18 H20 N2 O6 |
| Title of publication | 1,4-Bis(4-methyl-2-nitrophenoxy)butane |
| Authors of publication | Zhang, Huihui; Wang, Haiyan; Yu, Jianhua |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 12 |
| Pages of publication | x171734 |
| a | 4.7936 ± 0.0007 Å |
| b | 12.9828 ± 0.0019 Å |
| c | 14.632 ± 0.002 Å |
| α | 90° |
| β | 92.986 ± 0.002° |
| γ | 90° |
| Cell volume | 909.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1193 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205749 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 1548802 via cif-deposit CGI script. |
1548802.cif 1548802.hkl |
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Users of the data should acknowledge the original authors of the
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