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Information card for entry 2240345
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| Coordinates | 2240345.cif |
|---|---|
| Structure factors | 2240345.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>Z</i>)-1-Phenyl-3-styrylundeca-2-en-4,10-diyn-1-ol |
|---|---|
| Formula | C25 H24 O |
| Calculated formula | C25 H24 O |
| SMILES | O[C@@H](c1ccccc1)/C=C(/C=C/c1ccccc1)C#CCCCCC#C |
| Title of publication | Crystal structure of (<i>Z</i>)-1-phenyl-3-styrylundeca-2-en-4,10-diyn-1-ol |
| Authors of publication | Ganguly, Rakesh; Sally; Chan, Philip Wai Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o64 |
| a | 17.867 ± 0.002 Å |
| b | 17.867 ± 0.002 Å |
| c | 5.329 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1473.3 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.1215 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240345.cif 2240345.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240345.cif 2240345.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240345.cif 2240345.hkl |
| 129072 | 2014-12-26 | cif/ hkl/ Adding structures of 2240345 via cif-deposit CGI script. |
2240345.cif 2240345.hkl |
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Users of the data should acknowledge the original authors of the
structural data.