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Information card for entry 2239324
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| Coordinates | 2239324.cif |
|---|---|
| Structure factors | 2239324.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diethyl [(4-nitrobenzamido)(phenyl)methyl]phosphonate |
|---|---|
| Formula | C18 H21 N2 O6 P |
| Calculated formula | C18 H21 N2 O6 P |
| Title of publication | Diethyl [(4-nitrobenzamido)(phenyl)methyl]phosphonate |
| Authors of publication | Chen, Jing-Wei; Li, Bai-Cun; Fang, Hua; Wu, Zhen; Fang, Mei-Juan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o548 |
| a | 8.112 ± 0.003 Å |
| b | 10.378 ± 0.004 Å |
| c | 12.583 ± 0.005 Å |
| α | 106.321 ± 0.007° |
| β | 90.188 ± 0.008° |
| γ | 106.035 ± 0.007° |
| Cell volume | 973.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0907 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.1883 |
| Weighted residual factors for all reflections included in the refinement | 0.1995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239324.cif 2239324.hkl |
| 181312 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/93. |
2239324.cif 2239324.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239324.cif 2239324.hkl |
| 109452 | 2014-04-13 | cif/ hkl/ Adding structures of 2239324 via cif-deposit CGI script. |
2239324.cif 2239324.hkl |
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Users of the data should acknowledge the original authors of the
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