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Information card for entry 2020458
Preview
| Coordinates | 2020458.cif |
|---|---|
| Structure factors | 2020458.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>S</i>)-(+)-2-({[(4-Bromophenyl)ethyl]imino}methyl)naphthalene |
|---|---|
| Formula | C19 H16 Br N |
| Calculated formula | C19 H16 Br N |
| SMILES | Brc1ccc([C@@H](/N=C/c2cc3ccccc3cc2)C)cc1 |
| Title of publication | Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group |
| Authors of publication | Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 583 |
| a | 6.0526 ± 0.0002 Å |
| b | 7.6671 ± 0.0004 Å |
| c | 33.9712 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1576.46 ± 0.13 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0837 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181874 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04 |
2020458.cif 2020458.hkl |
| 180667 | 2016-04-01 | cif/ hkl/ Adding structures of 2020453, 2020454, 2020455, 2020456, 2020457, 2020458, 2020459, 2020460, 2020461, 2020462 via cif-deposit CGI script. |
2020458.cif 2020458.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.