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Information card for entry 4025153
Preview
| Coordinates | 4025153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H41 N O6 S |
|---|---|
| Calculated formula | C37 H40.5 N O6 S |
| SMILES | CO[C@@H]1O[C@@H]([C@@H](O)[C@H](S(=O)(=O)c2ccc(cc2)C)[C@H]1N1CCCC1)COC(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides |
| Authors of publication | Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2010 |
| Journal volume | 75 |
| Pages of publication | 303 - 314 |
| a | 8.766 Å |
| b | 12.419 Å |
| c | 16.03 Å |
| α | 92.17° |
| β | 92.89° |
| γ | 90.28° |
| Cell volume | 1741.59 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1301 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.2003 |
| Weighted residual factors for all reflections included in the refinement | 0.2209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.333 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192782 (current) | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items. |
4025153.cif |
| 178430 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/51. |
4025153.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025153.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025153.cif |
| 10925 | 2011-02-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4025153 via cif-deposit CGI script. |
4025153.cif |
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Users of the data should acknowledge the original authors of the
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