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Information card for entry 8102002
Preview
| Coordinates | 8102002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5,17-bis(N-tert-butylhydroxyamine)-25,26,27,28-tetrapropoxycalix[4]arene |
|---|---|
| Formula | C48 H66 N2 O6 |
| Calculated formula | C48 H66 N2 O6 |
| Title of publication | Crystal structure of 5,17-bis(N-tert-butylhydroxy-amine)-25,26,27, 28-tetrapropoxycalix[4]arene, C~48~H~66~N~2~O~6~ |
| Authors of publication | Hu, X.-J.; Yang, H.-J.; Liu, J.-K.; Zhang, H.; Li, Y.; Luo, Y.-H.; Wang, R.-J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 329 - 331 |
| a | 14.636 ± 0.002 Å |
| b | 16.807 ± 0.002 Å |
| c | 19.131 ± 0.002 Å |
| α | 90° |
| β | 102.981 ± 0.001° |
| γ | 90° |
| Cell volume | 4585.7 ± 1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1329 |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.1597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209540 (current) | 2018-08-10 | cif/8/10/ Updating bibliography and adding DOIs in entries 8100584, 8100585, 8100586, 8100651, 8100652, 8100653, 8100658, 8100659, 8100726, 8100728, 8100813, 8100841, 8100886, 8100907, 8100910, 8100918, 8101111, 8101196, 8101199, 8101262, 8101357, 8101399, 8101400, 8101401, 8101550, 8101594, 8101619, 8101636, 8101637, 8102002. |
8102002.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102002.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102002.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102002.cif |
| 12741 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8102002 via cif-deposit CGI script. |
8102002.cif |
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