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Information card for entry 7105753
Preview
| Coordinates | 7105753.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32.88 H51.5 Cl2 N4 O14.88 |
|---|---|
| Calculated formula | C65.75 H80 Cl4 N8 O29.75 |
| Title of publication | Anion templated dynamic correction towards the formation of structurally disfavored macrocycles |
| Authors of publication | Ignacio Alfonso; Miriam Bru; Michael Bolte; Isabel Burguete; Santiago Luis |
| Journal of publication | Chem.Commun. |
| Year of publication | 2011 |
| Journal volume | 47 |
| Pages of publication | 283 |
| a | 20.1702 ± 0.0009 Å |
| b | 20.6243 ± 0.0008 Å |
| c | 40.444 ± 0.002 Å |
| α | 90° |
| β | 100.75 ± 0.004° |
| γ | 90° |
| Cell volume | 16529.3 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2144 |
| Residual factor for significantly intense reflections | 0.1598 |
| Weighted residual factors for significantly intense reflections | 0.3882 |
| Weighted residual factors for all reflections included in the refinement | 0.4429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.377 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7105753.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7105753.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7105753.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7105753.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
7105753.cif |
| 5248 | 2010-12-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7105753 via cif-deposit CGI script. |
7105753.cif |
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Users of the data should acknowledge the original authors of the
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