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Information card for entry 1506570
Preview
| Coordinates | 1506570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C18 H23 N O5 |
|---|---|
| Calculated formula | C18 H23 N O5 |
| SMILES | N(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCC[C@]32CCC[C@H](C)O3)cc1 |
| Title of publication | Reductive spiroannulation of nitriles with secondary electrophiles. |
| Authors of publication | Morin, Matthew D.; Rychnovsky, Scott D. |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 10 |
| Pages of publication | 2051 - 2053 |
| a | 9.6051 ± 0.0009 Å |
| b | 7.4837 ± 0.0007 Å |
| c | 11.8595 ± 0.0011 Å |
| α | 90° |
| β | 99.663 ± 0.002° |
| γ | 90° |
| Cell volume | 840.39 ± 0.14 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506570.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. |
1506570.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 {}' |
1506570.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506570.cif |
| 50412 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506569, 1506570 via cif-deposit CGI script. |
1506570.cif |
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Users of the data should acknowledge the original authors of the
structural data.