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Information card for entry 7050441
Preview
| Coordinates | 7050441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | ? |
|---|---|
| Calculated formula | C37 H36 Cl2 N2 O2 |
| Title of publication | Conformation of syn- and anti-phenylquinazoline calix[4]arene diethers |
| Authors of publication | Simaan, Samah; Agbaria, Kasim; Thondorf, Iris; Biali, Silvio E. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2003 |
| Journal volume | 27 |
| Journal issue | 2 |
| Pages of publication | 236 |
| a | 13.031 ± 0.005 Å |
| b | 13.368 ± 0.005 Å |
| c | 11.333 ± 0.004 Å |
| α | 108.68 ± 0.02° |
| β | 111.11 ± 0.02° |
| γ | 61.57 ± 0.02° |
| Cell volume | 1592.7 ± 1.1 Å3 |
| Cell temperature | 293.2 K |
| Ambient diffraction temperature | 293.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Goodness-of-fit parameter for significantly intense reflections | 2.11 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180058 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/04. |
7050441.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7050441.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7050441.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' ) & |
7050441.cif |
| 3898 | 2010-12-09 | cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line. |
7050441.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7050441.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
7050441.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7050441.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
7050441.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
7050441.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
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