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Information card for entry 2231231
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| Coordinates | 2231231.cif |
|---|---|
| Structure factors | 2231231.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diethyl [(9-anthryl)(4-methylanilino)methyl]phosphonate |
|---|---|
| Formula | C26 H28 N O3 P |
| Calculated formula | C26 H28 N O3 P |
| Title of publication | Diethyl [(9-anthryl)(4-methylanilino)methyl]phosphonate |
| Authors of publication | Kraicheva, Ivanka; Tsacheva, Ivelina; Vodenicharova, Elitsa; Tashev, Emil; Troev, Kolio |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | o1980 |
| a | 9.599 ± 0.0003 Å |
| b | 12.6386 ± 0.0005 Å |
| c | 20.2131 ± 0.0007 Å |
| α | 75.865 ± 0.003° |
| β | 76.78 ± 0.004° |
| γ | 74.927 ± 0.003° |
| Cell volume | 2260.14 ± 0.15 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 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 | 0.0925 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1273 |
| Weighted residual factors for all reflections included in the refinement | 0.153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181234 (current) | 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 2/23/12. |
2231231.cif 2231231.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. |
2231231.cif 2231231.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2231231.cif 2231231.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231231.cif 2231231.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231231.cif 2231231.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231231.cif 2231231.hkl |
| 27145 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231231 via cif-deposit CGI script. |
2231231.cif |
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Users of the data should acknowledge the original authors of the
structural data.