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Information card for entry 2232929
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| Coordinates | 2232929.cif |
|---|---|
| Structure factors | 2232929.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(2,4-Dichlorophenyl)-5,5-dimethyl-2-(3-silatranylpropylmino)- 1,3,2-dioxaphosphorinane 2-oxide |
|---|---|
| Formula | C20 H31 Cl2 N2 O6 P Si |
| Calculated formula | C20 H31 Cl2 N2 O6 P Si |
| SMILES | c1(c(ccc(c1)Cl)C1C(C)(C)COP(=O)(NCCC[Si]234[N](CCO2)(CCO3)CCO4)O1)Cl |
| Title of publication | 4-(2,4-Dichlorophenyl)-5,5-dimethyl-2-(3-silatranylpropylmino)-1,3,2-dioxaphosphorinane 2-oxide |
| Authors of publication | Liu, Zhe-Rong; Tan, Xiao-Jing; Wang, De-Jian; Wang, Yan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3279 |
| a | 10.7738 ± 0.0012 Å |
| b | 10.932 ± 0.0013 Å |
| c | 11.2807 ± 0.0013 Å |
| α | 111.135 ± 0.002° |
| β | 95.926 ± 0.002° |
| γ | 90.424 ± 0.002° |
| Cell volume | 1231.2 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1037 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.1634 |
| Weighted residual factors for all reflections included in the refinement | 0.1937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (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 2/23/29. |
2232929.cif 2232929.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. |
2232929.cif 2232929.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232929.cif 2232929.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. | 2232929.cif 2232929.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232929.cif 2232929.hkl |
| 31815 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232929 via cif-deposit CGI script. |
2232929.cif |
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Users of the data should acknowledge the original authors of the
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