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Information card for entry 1501908
Preview
| Coordinates | 1501908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | E-47209-EXP035 |
|---|---|
| Formula | C15 H7 Br Cl F3 N2 |
| Calculated formula | C15 H7 Br Cl F3 N2 |
| SMILES | n1c2c(cc(cc2ncc1c1ccc(cc1)Cl)C(F)(F)F)Br.n1c2cc(cc(c2ncc1c1ccc(cc1)Cl)Br)C(F)(F)F |
| Title of publication | Safe and reliable synthesis of diazoketones and quinoxalines in a continuous flow reactor. |
| Authors of publication | Martin, Laetitia J.; Marzinzik, Andreas L.; Ley, Steven V.; Baxendale, Ian R. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 2 |
| Pages of publication | 320 - 323 |
| a | 9.74 ± 0.002 Å |
| b | 10.58 ± 0.002 Å |
| c | 13.367 ± 0.003 Å |
| α | 87.975 ± 0.008° |
| β | 87.647 ± 0.008° |
| γ | 88.54 ± 0.008° |
| Cell volume | 1375 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 1.54178 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. |
1501908.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501908.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501908.cif |
| 35250 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501908 via cif-deposit CGI script. |
1501908.cif |
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Users of the data should acknowledge the original authors of the
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