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Information card for entry 1519652
Preview
| Coordinates | 1519652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H59 N O5 |
|---|---|
| Calculated formula | C47 H59 N O5 |
| Title of publication | Intramolecularly Bridged Calix[4]arenes with Pronounced Complexation Ability toward Neutral Compounds. |
| Authors of publication | Slavík, Petr; Eigner, Václav; Lhoták, Pavel |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 11 |
| Pages of publication | 2788 - 2791 |
| a | 18.4589 ± 0.0002 Å |
| b | 58.006 ± 0.0009 Å |
| c | 11.59672 ± 0.00017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12416.9 ± 0.3 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Ambient diffracton pressure | 101 kPa |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n 21 a |
| Hall space group symbol | P -2ac -2n |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for all reflections | 0.1289 |
| Weighted residual factors for significantly intense reflections | 0.1271 |
| Weighted residual factors for all reflections included in the refinement | 0.1288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8818 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1519652.cif |
| 176428 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
1519652.cif |
| 140281 | 2015-07-05 | cif/ Updating files of 1519652, 1519653, 1519654 Original log message: Adding full bibliography for 1519652--1519654.cif. |
1519652.cif |
| 136580 | 2015-05-15 | cif/ Adding structures of 1519652 via cif-deposit CGI script. |
1519652.cif |
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Users of the data should acknowledge the original authors of the
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