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Information card for entry 2235910
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| Coordinates | 2235910.cif |
|---|---|
| Structure factors | 2235910.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | <i>N</i>-Benzyl-3,5-dideoxy-3,5-imino-1,2-<i>O</i>-isopropylidene- β-L-lyxofuranose |
|---|---|
| Formula | C15 H19 N O3 |
| Calculated formula | C15 H19 N O3 |
| SMILES | O1[C@@H]2[C@@H]3N(C[C@@H]3O[C@@H]2OC1(C)C)Cc1ccccc1 |
| Title of publication | <i>N</i>-Benzyl-3,5-dideoxy-3,5-imino-1,2-<i>O</i>-isopropylidene-β-<small>L</small>-lyxofuranose |
| Authors of publication | Edgeley, David S.; Jenkinson, Sarah F.; Lenagh-Snow, Gabriel; Rutherford, Catherine; Fleet, George W. J.; Thompson, Amber L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | o2410 |
| a | 9.1674 ± 0.0002 Å |
| b | 5.7551 ± 0.0001 Å |
| c | 13.1112 ± 0.0003 Å |
| α | 90° |
| β | 106.954 ± 0.0008° |
| γ | 90° |
| Cell volume | 661.67 ± 0.02 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0354 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for all reflections | 0.0872 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9426 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2235910.cif 2235910.hkl |
| 201979 | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2235910.cif 2235910.hkl |
| 181281 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/59. |
2235910.cif 2235910.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2235910.cif 2235910.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235910.cif 2235910.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2235910.cif 2235910.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235910.cif 2235910.hkl |
| 65991 | 2012-09-06 | cif/ Adding structures of 2235910 via cif-deposit CGI script. |
2235910.cif |
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Users of the data should acknowledge the original authors of the
structural data.