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Information card for entry 2105734
Preview
| Coordinates | 2105734.cif |
|---|---|
| Structure factors | 2105734.hkl |
| Original IUCr paper | HTML |
| Formula | C17 H20 O10.25 |
|---|---|
| Calculated formula | C17 H20 O10.25 |
| Title of publication | Solvent‒guest control of two extremely similar tetrahydrofuran inclusion structures |
| Authors of publication | Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | 126 - 131 |
| a | 11.2247 ± 0.0004 Å |
| b | 8.366 ± 0.0003 Å |
| c | 21.5073 ± 0.0008 Å |
| α | 90° |
| β | 97.265 ± 0.002° |
| γ | 90° |
| Cell volume | 2003.45 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0883 |
| Residual factor for significantly intense reflections | 0.0739 |
| Weighted residual factors for significantly intense reflections | 0.2386 |
| Weighted residual factors for all reflections included in the refinement | 0.2544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181876 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/57. |
2105734.cif 2105734.hkl |
| 180915 | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/57. |
2105734.cif 2105734.hkl |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105734.cif 2105734.hkl |
| 104714 | 2014-03-11 | cif/ hkl/ Adding structures of 2105734, 2105735 via cif-deposit CGI script. |
2105734.cif 2105734.hkl |
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Users of the data should acknowledge the original authors of the
structural data.