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Information card for entry 7204454
Preview
Coordinates | 7204454.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5-deoxy-5-C-(iododiphenylstannyl)-1,2-O-isopropylidene-alpha-D -xylofuranose |
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Formula | C20 H23 I O4 Sn |
Calculated formula | C20 H23 I O4 Sn |
SMILES | [Sn]1(I)(C[C@@H]2[C@@H]([C@@H]3[C@@H](OC(C)(C)O3)O2)[OH]1)(c1ccccc1)c1ccccc1 |
Title of publication | Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose |
Authors of publication | Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 2002 |
Journal issue | 20 |
Pages of publication | 2288 |
a | 9.566 ± 0.014 Å |
b | 10.366 ± 0.01 Å |
c | 12.983 ± 0.019 Å |
α | 104.99 ± 0.09° |
β | 111.71 ± 0.11° |
γ | 65.14 ± 0.09° |
Cell volume | 1077 ± 3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0517 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1127 |
Weighted residual factors for all reflections included in the refinement | 0.1173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7204454.html
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