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Information card for entry 1503441
Preview
| Coordinates | 1503441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 F12 N2 P2 |
|---|---|
| Calculated formula | C16 H14 F12 N2 P2 |
| SMILES | [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[n+]1(C)cc2c3c4c(c[n+](C)cc4cc2)ccc3c1 |
| Title of publication | Photoresponsive host-guest systems based on a new azobenzene-containing cryptand. |
| Authors of publication | Liu, Ming; Yan, Xuzhou; Hu, Menglong; Chen, Xiaopeng; Zhang, Mingming; Zheng, Bo; Hu, Xiaohuan; Shao, Shuang; Huang, Feihe |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 11 |
| Pages of publication | 2558 - 2561 |
| a | 6.7733 ± 0.0005 Å |
| b | 10.6708 ± 0.0006 Å |
| c | 13.4177 ± 0.0006 Å |
| α | 90° |
| β | 91.054 ± 0.005° |
| γ | 90° |
| Cell volume | 969.62 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0728 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1765 |
| Weighted residual factors for all reflections included in the refinement | 0.1906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
1503441.cif |
| 176729 | 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 1. |
1503441.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503441.cif |
| 37312 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503440, 1503441 via cif-deposit CGI script. |
1503441.cif |
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Users of the data should acknowledge the original authors of the
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