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Information card for entry 7238129
Preview
| Coordinates | 7238129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | annulated myo-inositol |
|---|---|
| Chemical name | (1R*,2R*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol |
| Formula | C10 H18 O6 |
| Calculated formula | C10 H18 O6 |
| Title of publication | Fine tuning the hydrophilic‒hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’ |
| Authors of publication | Mehta, Goverdhan; Sen, Saikat |
| Journal of publication | CrystEngComm |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 109 |
| Pages of publication | 656 |
| a | 6.1134 ± 0.0013 Å |
| b | 7.6139 ± 0.0013 Å |
| c | 11.668 ± 0.002 Å |
| α | 102.319 ± 0.003° |
| β | 97.916 ± 0.003° |
| γ | 91.829 ± 0.002° |
| Cell volume | 524.49 ± 0.17 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1005 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244075 (current) | 2019-11-28 | cif/ Adding structures of 7238128, 7238129, 7238130 via cif-deposit CGI script. |
7238129.cif |
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Users of the data should acknowledge the original authors of the
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