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Information card for entry 7151243
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| Coordinates | 7151243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline |
|---|---|
| Chemical name | N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline |
| Formula | C19 H19 N O4 S |
| Calculated formula | C19 H19 N O4 S |
| SMILES | S(=O)(=O)(N1C(C(=CC1)C(=O)OC)c1ccccc1)c1ccc(cc1)C |
| Title of publication | The dihydrofuran template approach to furofuran synthesis. |
| Authors of publication | Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2006 |
| Journal volume | 4 |
| Journal issue | 15 |
| Pages of publication | 2912 - 2927 |
| a | 5.8932 ± 0.0004 Å |
| b | 9.2189 ± 0.0007 Å |
| c | 16.1992 ± 0.0013 Å |
| α | 87.502 ± 0.003° |
| β | 89.201 ± 0.003° |
| γ | 77.553 ± 0.003° |
| Cell volume | 858.57 ± 0.11 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 0.2 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 | 0.1066 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151243.cif |
| 180298 | 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 7/15/12. |
7151243.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151243.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151243.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7151243.cif |
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