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Information card for entry 1543055
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| Coordinates | 1543055.cif |
|---|---|
| Structure factors | 1543055.hkl |
| Original paper (by DOI) | HTML |
| Common name | D-(+)-chiro-inositol |
|---|---|
| Chemical name | cis-1,2,4-trans-3,5,6-cyclohexanehexol |
| Formula | C6 H12 O6 |
| Calculated formula | C6 H12 O6 |
| SMILES | C1(O)C(O)C(O)C(O)C(O)C1O |
| Title of publication | On the correlation between hydrogen bonding and melting points in the inositols |
| Authors of publication | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco |
| Journal of publication | IUCrJ |
| Year of publication | 2013 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | 61 - 73 |
| a | 6.86637 ± 0.00011 Å |
| b | 9.12272 ± 0.00014 Å |
| c | 6.21914 ± 0.000098 Å |
| α | 90° |
| β | 106.596 ± 0.00059° |
| γ | 90° |
| Cell volume | 373.338 ± 0.01 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 21 |
| Hall space group symbol | P 2yb |
| Goodness-of-fit parameter for all reflections | 1.377 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181978 (current) | 2016-04-08 | cif/ hkl/ Adding structures of 1543051, 1543052, 1543053, 1543054, 1543055, 1543056 via cif-deposit CGI script. |
1543055.cif 1543055.hkl |
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Users of the data should acknowledge the original authors of the
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