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Information card for entry 7200441
Preview
| Coordinates | 7200441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-Methoxy-beta-nitrostyrene |
|---|---|
| Chemical name | 4-Methoxy-β-nitrostyrene |
| Formula | C9 H9 N O3 |
| Calculated formula | C9 H9 N O3 |
| Title of publication | Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature |
| Authors of publication | Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 638 |
| a | 5.8529 ± 0.0006 Å |
| b | 8.6855 ± 0.0008 Å |
| c | 9.0724 ± 0.0009 Å |
| α | 103.447 ± 0.002° |
| β | 90.696 ± 0.002° |
| γ | 95.572 ± 0.002° |
| Cell volume | 446.15 ± 0.08 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 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 | 0.0861 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1898 |
| Weighted residual factors for all reflections included in the refinement | 0.2189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180335 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/04. |
7200441.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200441.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200441.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' ) & |
7200441.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200441.cif |
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