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Information card for entry 7150751
Preview
| Coordinates | 7150751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tetrakis(4-(4-phenyl-1,2,3-triazol-1-yl)phenyl)methane |
|---|---|
| Chemical name | Tetrakis(4-(4-phenyl-1,2,3-triazol-1-yl)phenyl)methane |
| Formula | C63 H54 N14 O2 |
| Calculated formula | C63 H54 N14 O2 |
| SMILES | C(c1ccc(cc1)n1nnc(c1)c1ccccc1)(c1ccc(n2nnc(c2)c2ccccc2)cc1)(c1ccc(cc1)n1nnc(c1)c1ccccc1)c1ccc(cc1)n1nnc(c1)c1ccccc1.C(=O)N(C)C.C(=O)N(C)C |
| Title of publication | Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies |
| Authors of publication | Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 22 |
| Pages of publication | 4734 - 4743 |
| a | 29.701 ± 0.006 Å |
| b | 8.996 ± 0.002 Å |
| c | 20.844 ± 0.004 Å |
| α | 90° |
| β | 109.53 ± 0.02° |
| γ | 90° |
| Cell volume | 5249 ± 2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1413 |
| Residual factor for significantly intense reflections | 0.0846 |
| Weighted residual factors for significantly intense reflections | 0.197 |
| Weighted residual factors for all reflections included in the refinement | 0.2309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180293 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/07. |
7150751.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7150751.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150751.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150751.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150751.cif |
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