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Information card for entry 8102292
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| Coordinates | 8102292.cif |
|---|---|
| External links | ChemSpider |
| Chemical name | methyl 3-O-acetyl-2-[1-imidazol-1-yl-(E)-ethylideneamino]-2,4,6-trideoxy-4,6-diiodo-a-D-galactopyranoside |
|---|---|
| Formula | C14 H19 I2 N3 O4 |
| Calculated formula | C14 H19 I2 N3 O4 |
| SMILES | I[C@H]1[C@H](O[C@H](OC)[C@H](/N=C(n2cncc2)\C)[C@H]1OC(=O)C)CI |
| Title of publication | Crystal structure of methyl 3-O-acetyl-2-[1-imidazol-1-yl-(E)-ethylideneamino]-2,4,6-trideoxy-4,6-diiodo-α-D-galactopyranoside, C14H19I2N3O4 |
| Authors of publication | Wolfgang Frey; Robert Sardzik; Volker Jäger |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 3 |
| Pages of publication | 257 |
| a | 10.4449 ± 0.0019 Å |
| b | 11.327 ± 0.002 Å |
| c | 15.937 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1885.5 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202018 (current) | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8102292.cif |
| 176728 | 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 8. |
8102292.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
8102292.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102292.cif |
| 13031 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102292 via cif-deposit CGI script. |
8102292.cif |
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Users of the data should acknowledge the original authors of the
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