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Information card for entry 4314645
Preview
| Coordinates | 4314645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H77 N7 O15 |
|---|---|
| Calculated formula | C51 H50 N7 O15 |
| Title of publication | A Versatile Tripodal Amide Receptor for the Encapsulation of Anions or Hydrated Anions via Formation of Dimeric Capsules |
| Authors of publication | M. Arunachalam; Pradyut Ghosh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 943 - 951 |
| a | 12.484 ± 0.004 Å |
| b | 13.781 ± 0.004 Å |
| c | 16.753 ± 0.006 Å |
| α | 85.776 ± 0.019° |
| β | 73.55 ± 0.018° |
| γ | 72.3 ± 0.02° |
| Cell volume | 2633.1 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1579 |
| Residual factor for significantly intense reflections | 0.0989 |
| Weighted residual factors for significantly intense reflections | 0.2734 |
| Weighted residual factors for all reflections included in the refinement | 0.3212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179224 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/46. |
4314645.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4314645.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314645.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4314645.cif |
| 7788 | 2011-02-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4314645 via cif-deposit CGI script. |
4314645.cif |
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Users of the data should acknowledge the original authors of the
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