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Information card for entry 7009177
Preview
| Coordinates | 7009177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H67 O4 P |
|---|---|
| Calculated formula | C58 H67 O4 P |
| SMILES | P12Oc3c4Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc3cc(c4)C(C)(C)C)c7OCc3ccccc3)C(C)(C)C)c6O2)C(C)(C)C)c5O1)C(C)(C)C.c1(ccccc1)C |
| Title of publication | Calix[4]arene based monophosphites, identification of three conformations and their use in the rhodium-catalysed hydroformylation of 1-octene |
| Authors of publication | Parlevliet, Floris J.; Kiener, Christoph; Fraanje, Jan; Goubitz, Kees; Lutz, Martin; Spek, Anthony L.; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 7 |
| Pages of publication | 1113 |
| a | 17.9 ± 0.003 Å |
| b | 21.4197 ± 0.0019 Å |
| c | 24.477 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9384.8 ± 1.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1543 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.1487 |
| Weighted residual factors for all reflections included in the refinement | 0.1798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
7009177.cif |
| 179795 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/91. |
7009177.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009177.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009177.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009177.cif |
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