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Information card for entry 1506245
Preview
| Coordinates | 1506245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H23 N |
|---|---|
| Calculated formula | C18 H23 N |
| Title of publication | Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids. |
| Authors of publication | Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C. |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 21 |
| Pages of publication | 4959 - 4961 |
| a | 7.9681 ± 0.0002 Å |
| b | 10.7207 ± 0.0003 Å |
| c | 18.021 ± 0.0003 Å |
| α | 96.5216 ± 0.0015° |
| β | 98.1632 ± 0.0017° |
| γ | 104.245 ± 0.0013° |
| Cell volume | 1459.16 ± 0.06 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for all reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.0537 |
| Weighted residual factors for all reflections included in the refinement | 0.0537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0874 |
| 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. |
1506245.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 {}' |
1506245.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506245.cif |
| 48118 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506245 via cif-deposit CGI script. |
1506245.cif |
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Users of the data should acknowledge the original authors of the
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