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Information card for entry 2018060
Preview
| Coordinates | 2018060.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)- <i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol |
|---|---|
| Formula | C38 H48 N O P |
| Calculated formula | C38 H48 N O P |
| Title of publication | Multiple intramolecular hydrogen bonds in 2,4-di-<i>tert</i>-butyl-6-[<i>N</i>-(2,6-diisopropylphenyl)-<i>P</i>,<i>P</i>-diphenylphosphorimidoyl]phenol |
| Authors of publication | Lee, Jong-Dae; Suh, Il-Hwan; Kang, Sang Ook |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | o151 - o153 |
| a | 9.4999 ± 0.0015 Å |
| b | 11.9323 ± 0.0019 Å |
| c | 15.247 ± 0.003 Å |
| α | 88.658 ± 0.003° |
| β | 76.925 ± 0.003° |
| γ | 89.38 ± 0.003° |
| Cell volume | 1683 ± 0.5 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 | 0.1221 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1598 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
2018060.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2018060.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018060.cif |
| 20039 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2018060 via cif-deposit CGI script. |
2018060.cif |
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