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Information card for entry 1506327
Preview
Coordinates | 1506327.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [2(picolylamine-N-acetate)ethyl]-alpha-D-glucofuranosyl rhenium-tricarbonyl |
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Formula | C22 H27 N2 O11 Re |
Calculated formula | C22 H27 N2 O11 Re |
SMILES | [Re]12([n]3ccccc3C[N]1(CC(=O)O2)CCO[C@H]1[C@H](O[C@@H]2OC(O[C@H]12)(C)C)[C@H](O)CO)(C#[O])(C#[O])C#[O] |
Title of publication | Functionalization of Glucose at Position C-3 for Transition Metal Coordination: Organo-Rhenium Complexes with Carbohydrate Skeletons |
Authors of publication | Dumas, Cécile; Petrig, Jeannine; Frei, Luzia; Spingler, Bernhard; Schibli, Roger |
Journal of publication | Bioconjugate Chemistry |
Year of publication | 2005 |
Journal volume | 16 |
Journal issue | 2 |
Pages of publication | 421 |
a | 7.2693 ± 0.0003 Å |
b | 9.9472 ± 0.0004 Å |
c | 34.2689 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2477.96 ± 0.18 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 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 | 0.0344 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0707 |
Weighted residual factors for all reflections included in the refinement | 0.0721 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1506327.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506327.cif |
49996 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506327 via cif-deposit CGI script. |
1506327.cif |
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Users of the data should acknowledge the original authors of the
structural data.