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Information card for entry 4105667
Preview
| Coordinates | 4105667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61.5 H78 Cl10 N4 O11.5 P |
|---|---|
| Calculated formula | C61.5 H78 Cl10 N4 O11.5 P |
| Title of publication | Encaging the Verkade's Superbases: Thermodynamic and Kinetic Consequences |
| Authors of publication | Pascal Dimitrov Raytchev; Alexandre Martinez; Heinz Gornitzka; Jean-Pierre Dutasta |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 2157 - 2159 |
| a | 27.8 ± 0.3 Å |
| b | 26.2 ± 0.3 Å |
| c | 21.3 ± 0.2 Å |
| α | 90° |
| β | 123.69 ± 0.17° |
| γ | 90° |
| Cell volume | 12908 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.315 |
| Residual factor for significantly intense reflections | 0.1305 |
| Weighted residual factors for significantly intense reflections | 0.3094 |
| Weighted residual factors for all reflections included in the refinement | 0.4145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
4105667.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4105667.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4105667.cif |
| 52428 | 2012-04-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4105667 via cif-deposit CGI script. |
4105667.cif |
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Users of the data should acknowledge the original authors of the
structural data.