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Information card for entry 7151557
Preview
| Coordinates | 7151557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55.5 H76 O8 |
|---|---|
| Calculated formula | C55.5 H72 O8 |
| Title of publication | Factors influencing solvent adduct formation by calixarenes in the solid state. |
| Authors of publication | Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2004 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | 387 - 396 |
| a | 21.163 ± 0.002 Å |
| b | 21.401 ± 0.002 Å |
| c | 25.508 ± 0.002 Å |
| α | 107.194 ± 0.001° |
| β | 108.912 ± 0.001° |
| γ | 90.083 ± 0.002° |
| Cell volume | 10380.1 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.201 |
| Residual factor for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections | 1.5 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.85 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7151557.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151557.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151557.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151557.cif |
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Users of the data should acknowledge the original authors of the
structural data.