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Information card for entry 1502223
Preview
| Coordinates | 1502223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H25 F6 N3 O3 |
|---|---|
| Calculated formula | C30 H25 F6 N3 O3 |
| SMILES | C(F)(F)(F)c1nc2c(cccc2c([C@H]2O[C@@H]2/C(=N\N2C(=O)O[C@H]3[C@]42CC[C@H](C3)C4(C)C)c2ccccc2)c1)C(F)(F)F |
| Title of publication | Asymmetric total synthesis of the antimalarial drug (+)-mefloquine hydrochloride via chiral N-amino cyclic carbamate hydrazones. |
| Authors of publication | Knight, John D.; Sauer, Scott J.; Coltart, Don M. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 3118 - 3121 |
| a | 7.2964 ± 0.0003 Å |
| b | 13.4415 ± 0.0006 Å |
| c | 27.0296 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2650.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1502223.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502223.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502223.cif |
| 35531 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502223 via cif-deposit CGI script. |
1502223.cif |
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Users of the data should acknowledge the original authors of the
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