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Information card for entry 1506928
Preview
| Coordinates | 1506928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 N O3 |
|---|---|
| Calculated formula | C18 H24 N O3 |
| Title of publication | Using nucleophilic substitution reactions to understand how a remote alkyl or alkoxy substituent influences the conformation of eight-membered ring oxocarbenium ions. |
| Authors of publication | Chamberland, Stephen; Woerpel, K. A. |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 25 |
| Pages of publication | 4739 - 4741 |
| a | 5.2748 ± 0.0003 Å |
| b | 10.1002 ± 0.0006 Å |
| c | 15.4153 ± 0.0009 Å |
| α | 94.272 ± 0.001° |
| β | 94.662 ± 0.001° |
| γ | 95.663 ± 0.001° |
| Cell volume | 811.74 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0627 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1419 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (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 1. |
1506928.cif |
| 131991 | 2015-02-18 | cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '�%' repetitions from 38 CIFs in 1/50/. |
1506928.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 {}' |
1506928.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506928.cif |
| 51550 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506928 via cif-deposit CGI script. |
1506928.cif |
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