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Information card for entry 2240987
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| Coordinates | 2240987.cif |
|---|---|
| Structure factors | 2240987.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2'-Bis[(2-chlorobenzyl)oxy]-1,1'-binaphthalene |
|---|---|
| Formula | C34 H24 Cl2 O2 |
| Calculated formula | C34 H24 Cl2 O2 |
| SMILES | c1(ccccc1COc1ccc2ccccc2c1c1c2ccccc2ccc1OCc1ccccc1Cl)Cl |
| Title of publication | Crystal structure of 2,2'-bis[(2-chlorobenzyl)oxy]-1,1'-binaphthalene |
| Authors of publication | Raja, Rajamani; Jayanthi, Mani; Rajakumar, Perumal; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | o637 - o638 |
| a | 11.1983 ± 0.0003 Å |
| b | 14.6094 ± 0.0004 Å |
| c | 16.3263 ± 0.0004 Å |
| α | 90° |
| β | 92.622 ± 0.002° |
| γ | 90° |
| Cell volume | 2668.19 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240987.cif 2240987.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240987.cif 2240987.hkl |
| 153373 | 2015-08-13 | cif/ hkl/ Adding structures of 2240987 via cif-deposit CGI script. |
2240987.cif 2240987.hkl |
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Users of the data should acknowledge the original authors of the
structural data.