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Information card for entry 2019699
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| Coordinates | 2019699.cif |
|---|---|
| Structure factors | 2019699.hkl |
| Original IUCr paper | HTML |
| Common name | myo inositol cocrystal |
|---|---|
| Chemical name | Racemic 2,4(6)-di-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate‒4,4'-bipyridine (1/1) |
| Formula | C31 H26 N2 O8 |
| Calculated formula | C31 H26 N2 O8 |
| Title of publication | Correlation of the solid-state reactivities of racemic 2,4(6)-di-<i>O</i>-benzoyl-<i>myo</i>-inositol 1,3,5-orthoformate and its 4,4'-bipyridine cocrystal with their crystal structures |
| Authors of publication | Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 1040 - 1045 |
| a | 10.7434 ± 0.0003 Å |
| b | 11.4077 ± 0.0004 Å |
| c | 11.7341 ± 0.0004 Å |
| α | 82.246 ± 0.002° |
| β | 65.849 ± 0.002° |
| γ | 89.549 ± 0.002° |
| Cell volume | 1298.44 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019699.cif 2019699.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019699.cif 2019699.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2019699.cif 2019699.hkl |
| 128096 | 2014-12-04 | cif/ Updating files of 2019698, 2019699 Original log message: Adding full bibliography for 2019698--2019699.cif. |
2019699.cif 2019699.hkl |
| 125271 | 2014-10-12 | cif/ hkl/ Adding structures of 2019698, 2019699 via cif-deposit CGI script. |
2019699.cif 2019699.hkl |
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Users of the data should acknowledge the original authors of the
structural data.