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Information card for entry 2105714
Preview
| Coordinates | 2105714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-chloro-2'-hydroxybiphenyl |
|---|---|
| Chemical name | 4-chloro-2'-biphenylol |
| Formula | C12 H9 Cl O |
| Calculated formula | C12 H9 Cl O |
| SMILES | Clc1ccc(cc1)c1ccccc1O |
| Title of publication | Z' = 4 structure without obvious pseudosymmetry: implications for the formation of solid-state compounds |
| Authors of publication | Lehmler, Hans-Joachim; Robertson, Larry W.; Parkin, Sean; Brock, Carolyn Pratt |
| Journal of publication | Acta Crystallographica, Section B: Structural Science |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 1 |
| Pages of publication | 140 - 147 |
| a | 17.211 ± 0.003 Å |
| b | 11.962 ± 0.002 Å |
| c | 19.621 ± 0.003 Å |
| α | 90° |
| β | 95.95 ± 0.02° |
| γ | 90° |
| Cell volume | 4017.8 ± 1.2 Å3 |
| Cell temperature | 142 ± 1 K |
| Ambient diffraction temperature | 142 ± 1 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 | 0.097 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 2103242 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210949 (current) | 2018-09-14 | cif/2/10/ Updating bibliography in entries 2103241-2103242, 2105713-2105714. Marking entries 2105713-2105714 as duplicates of entries 2103241-2103242. |
2105714.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105714.cif |
| 99223 | 2014-01-30 | cif/ Adding structures of 2105713, 2105714 via cif-deposit CGI script. |
2105714.cif |
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Users of the data should acknowledge the original authors of the
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