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Information card for entry 2018665
Preview
| Coordinates | 2018665.cif |
|---|---|
| Structure factors | 2018665.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | Bis(<i>tert</i>-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane |
|---|---|
| Formula | C24 H47 P Si2 |
| Calculated formula | C24 H47 P Si2 |
| SMILES | P([Si](C)(C)C(C)(C)C)([Si](C)(C)C(C)(C)C)c1c(C(C)C)cccc1C(C)C |
| Title of publication | Bis(<i>tert</i>-butyldimethylsilyl)(2,6-diisopropylphenyl)phosphane: the first structure of an organophosphane with two <i>tert</i>-butyldimethylsilyl (TBDMS) substituents |
| Authors of publication | Boeré, René T.; Taghavikish, Mona |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | o381 - o382 |
| a | 10.432 ± 0.003 Å |
| b | 11.237 ± 0.003 Å |
| c | 11.885 ± 0.003 Å |
| α | 80.084 ± 0.002° |
| β | 88.989 ± 0.002° |
| γ | 88.943 ± 0.002° |
| Cell volume | 1372 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018665.cif 2018665.hkl |
| 180855 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/86. |
2018665.cif 2018665.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018665.cif 2018665.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2018665.cif 2018665.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018665.cif 2018665.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. | 2018665.cif 2018665.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018665.cif 2018665.hkl |
| 70214 | 2012-12-21 | cif/ Adding structures of 2018665 via cif-deposit CGI script. |
2018665.cif |
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Users of the data should acknowledge the original authors of the
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