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Information card for entry 1505034
Preview
| Coordinates | 1505034.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C9 H17 N O4 |
|---|---|
| Calculated formula | C9 H17 N O4 |
| SMILES | O[C@H]1CN2CC[C@H]([C@@H]2[C@@H](O)[C@@H]1O)CO |
| Title of publication | Synthesis of 1-deoxy-1-hydroxymethyl- and 1-deoxy-1-epi-hydroxymethyl castanospermine as new potential immunomodulating agents. |
| Authors of publication | Vyavahare, Vinod P.; Chakraborty, Chaitali; Maity, Biswanath; Chattopadhyay, Subrata; Puranik, Vedavati G.; Dhavale, Dilip D. |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2007 |
| Journal volume | 50 |
| Journal issue | 22 |
| Pages of publication | 5519 - 5523 |
| a | 7.1718 ± 0.0007 Å |
| b | 6.9079 ± 0.0007 Å |
| c | 10.864 ± 0.0011 Å |
| α | 90° |
| β | 107.338 ± 0.002° |
| γ | 90° |
| Cell volume | 513.77 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| 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. |
1505034.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. |
1505034.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505034.cif |
| 45291 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505034 via cif-deposit CGI script. |
1505034.cif |
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Users of the data should acknowledge the original authors of the
structural data.