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Information card for entry 1506740
Preview
| Coordinates | 1506740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C10 H11 F3 N2 O3 S |
|---|---|
| Calculated formula | C10 H11 F3 N2 O3 S |
| SMILES | [n+]1(ccccc1)C1=NCCC1.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Electrophilic activation of lactams with Tf2O and pyridine: expedient synthesis of (+/-)-tetraponerine T4. |
| Authors of publication | Charette, André B; Mathieu, Simon; Martel, Jonathan |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 24 |
| Pages of publication | 5401 - 5404 |
| a | 9.3647 ± 0.0007 Å |
| b | 10.3859 ± 0.0007 Å |
| c | 13.1874 ± 0.0008 Å |
| α | 90° |
| β | 91.777 ± 0.004° |
| γ | 90° |
| Cell volume | 1282 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0709 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1686 |
| Weighted residual factors for all reflections included in the refinement | 0.176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1506740.cif |
| 176729 | 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. |
1506740.cif |
| 131991 | 2015-02-18 | cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '�%' repetitions from 38 CIFs in 1/50/. |
1506740.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506740.cif |
| 50550 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506740 via cif-deposit CGI script. |
1506740.cif |
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Users of the data should acknowledge the original authors of the
structural data.