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Information card for entry 7151047
Preview
| Coordinates | 7151047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H11 Cl3 N2 O3 |
|---|---|
| Calculated formula | C17 H11 Cl3 N2 O3 |
| SMILES | n12c(nc3ccccc3c1=O)C(=O)c1c(C2O)cccc1.C(Cl)(Cl)Cl |
| Title of publication | Radical reactions with 3H-quinazolin-4-ones: synthesis of deoxyvasicinone, mackinazolinone, luotonin A, rutaecarpine and tryptanthrin. |
| Authors of publication | Bowman, W. Russell; Elsegood, Mark R. J.; Stein, Tobias; Weaver, George W. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | 103 - 113 |
| a | 6.6511 ± 0.0003 Å |
| b | 8.6274 ± 0.0003 Å |
| c | 14.5395 ± 0.0007 Å |
| α | 90.123 ± 0.002° |
| β | 94.525 ± 0.003° |
| γ | 99.594 ± 0.003° |
| Cell volume | 819.97 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180296 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/10. |
7151047.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151047.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151047.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7151047.cif |
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Users of the data should acknowledge the original authors of the
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