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Information card for entry 8102083
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| Coordinates | 8102083.cif |
|---|---|
| External links | PubChem |
| Chemical name | 2,2'-[(1,4-butane)dioxybis(nitrilomethylidyne)]dinaphthol |
|---|---|
| Formula | C26 H24 N2 O4 |
| Calculated formula | C26 H24 N2 O4 |
| Title of publication | Crystal structure of 2,2'-((1,4-butylene)dioxybis(nitrilo-methylidyne)) dinaphthol, C~26~H~24~N~2~O~4~ |
| Authors of publication | Dong, W.-K.; Duan, J.-G.; Wu, H.-L.; Shi, J.-Y.; Yu, T.-Z. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 4 |
| Pages of publication | 555 - 556 |
| a | 5.611 ± 0.002 Å |
| b | 11.723 ± 0.002 Å |
| c | 16.636 ± 0.003 Å |
| α | 90° |
| β | 95.432 ± 0.002° |
| γ | 90° |
| Cell volume | 1089.4 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0837 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102083.cif |
| 176728 | 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. |
8102083.cif |
| 108008 | 2014-03-26 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102083.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102083.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' ) & |
8102083.cif |
| 16262 | 2011-03-21 | cif/8/ Deleting unicode symbols near the numeric temperature values. |
8102083.cif |
| 12822 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102083 via cif-deposit CGI script. |
8102083.cif |
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Users of the data should acknowledge the original authors of the
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