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Information card for entry 1507461
Preview
| Coordinates | 1507461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C19 H18 Cl3 N O2 |
|---|---|
| Calculated formula | C19 H18 Cl3 N O2 |
| SMILES | Clc1c(cc(Cl)cc1Cl)[C@H]1N(O[C@@H]2[C@@]1(CO)CCC2)c1ccccc1 |
| Title of publication | Enantioselective 1,3-Dipolar Cycloaddition of Nitrones Catalyzed by Optically Active Cationic Cobalt(III) Complexes |
| Authors of publication | Mita, Tsuyoshi; Ohtsuki, Natsuki; Ikeno, Taketo; Yamada, Tohru |
| Journal of publication | Organic Letters |
| Year of publication | 2002 |
| Journal volume | 4 |
| Journal issue | 15 |
| Pages of publication | 2457 |
| a | 12.36 ± 0.004 Å |
| b | 13.93 ± 0.01 Å |
| c | 10.496 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1807 ± 2 Å3 |
| Cell temperature | 298 ± 1 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 significantly intense reflections | 0.032 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507461.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1507461.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507461.cif |
| 53982 | 2012-04-20 | cif/ Adding structures of 1507461 via cif-deposit CGI script. |
1507461.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.