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Information card for entry 1513314
Preview
| Coordinates | 1513314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H24 O |
|---|---|
| Calculated formula | C23 H24 O |
| SMILES | C1(=O)CC(CCC1)/C(=C(\C=C\c1ccccc1)c1ccccc1)C |
| Title of publication | Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes |
| Authors of publication | Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong |
| Journal of publication | Organic Letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 16 |
| Pages of publication | 3610 - 3613 |
| a | 32.0014 ± 0.0017 Å |
| b | 10.3331 ± 0.0005 Å |
| c | 22.6217 ± 0.0012 Å |
| α | 90° |
| β | 96.632 ± 0.001° |
| γ | 90° |
| Cell volume | 7430.3 ± 0.7 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1525 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 1503448 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218635 (current) | 2019-09-20 | cif/1/51/33/ Marked entry 1513314 as a duplicate of entry 1503448. |
1513314.cif |
| 218634 | 2019-09-20 | cif/1/ Updated bibliographic information in entries 1503103-1503104, 1503448, 1513314, 1516315. |
1513314.cif |
| 176729 | 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 1. |
1513314.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1513314.cif |
| 108723 | 2014-04-03 | cif/1 Fixing formula and Z values |
1513314.cif |
| 99231 | 2014-01-30 | cif/ Adding structures of 1513314 via cif-deposit CGI script. |
1513314.cif |
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