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Information card for entry 1503490
Preview
| Coordinates | 1503490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H27 N O |
|---|---|
| Calculated formula | C30 H27 N O |
| SMILES | O=C(c1ccccc1)C[C@H](c1ccccc1)[C@@H]1N(CCc2c1cccc2)c1ccccc1.O=C(c1ccccc1)C[C@@H](c1ccccc1)[C@H]1N(CCc2c1cccc2)c1ccccc1 |
| Title of publication | Visible Light Photoredox Catalysis: Generation and Addition of N-Aryltetrahydroisoquinoline-Derived α-Amino Radicals to Michael Acceptors. |
| Authors of publication | Kohls, Paul; Jadhav, Deepak; Pandey, Ganesh; Reiser, Oliver |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 3 |
| Pages of publication | 672 - 675 |
| a | 12.7011 ± 0.00015 Å |
| b | 5.87973 ± 0.00007 Å |
| c | 29.5998 ± 0.0004 Å |
| α | 90° |
| β | 91.6291 ± 0.0011° |
| γ | 90° |
| Cell volume | 2209.59 ± 0.05 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0413 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
1503490.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
1503490.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503490.cif |
| 37867 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 1503490 via cif-deposit CGI script. |
1503490.cif |
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Users of the data should acknowledge the original authors of the
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