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Information card for entry 8102311
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| Coordinates | 8102311.cif |
|---|
| Chemical name | 3-Methoxy-2-4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-2-yl)phenyl}-4-(4-methoxyphenyl]-6-(trifluoromethyl)pyridine |
|---|---|
| Formula | C34 H26 F6 N2 O4 |
| Calculated formula | C34 H26 F6 N2 O4 |
| Title of publication | Crystal structure of 1,4-bis[3-methoxy-4-(4-methoxy- phenyl)-6-(trifluoromethyl)pyridin-2-yl]benzene, C34H26F6N2O4 |
| Authors of publication | Jyotirmayee Dash; Irene Brüdgam; Hans Hartl; Hans-Ulrich Reißig |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 4 |
| Pages of publication | 347 |
| a | 23.313 ± 0.005 Å |
| b | 9.153 ± 0.002 Å |
| c | 14.571 ± 0.003 Å |
| α | 90° |
| β | 110.824 ± 0.005° |
| γ | 90° |
| Cell volume | 2906.1 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0678 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102311.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102311.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' ) & |
8102311.cif |
| 16262 | 2011-03-21 | cif/8/ Deleting unicode symbols near the numeric temperature values. |
8102311.cif |
| 13050 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102311 via cif-deposit CGI script. |
8102311.cif |
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