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Information card for entry 2240330
Preview
| Coordinates | 2240330.cif |
|---|---|
| Structure factors | 2240330.hkl |
| Original IUCr paper | HTML |
| Formula | C22 H21 F N O3 P |
|---|---|
| Calculated formula | C22 H21 F N O3 P |
| SMILES | c1(c(ccc2ccccc12)OP1OCC(CO1)(C)C)/C=N/c1ccc(F)cc1 |
| Title of publication | Crystal structure of (<i>E</i>)-1-{2-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)oxy]naphthalen-1-yl}-<i>N</i>-(4-fluorophenyl)methanimine |
| Authors of publication | Said, Musa A.; Al Belewi, Bayan L.; Hughes, David L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 85 - 87 |
| a | 18.3667 ± 0.0008 Å |
| b | 5.7898 ± 0.0002 Å |
| c | 19.771 ± 0.0007 Å |
| α | 90° |
| β | 110.87 ± 0.004° |
| γ | 90° |
| Cell volume | 1964.5 ± 0.14 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| 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 |
2240330.cif 2240330.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. |
2240330.cif 2240330.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. |
2240330.cif 2240330.hkl |
| 128880 | 2014-12-21 | cif/ hkl/ Adding structures of 2240330 via cif-deposit CGI script. |
2240330.cif 2240330.hkl |
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Users of the data should acknowledge the original authors of the
structural data.