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Information card for entry 2019405
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| Coordinates | 2019405.cif |
|---|---|
| Structure factors | 2019405.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine |
|---|---|
| Formula | C20 H21 N O3 |
| Calculated formula | C20 H21 N O3 |
| SMILES | COc1cc(CNc2cccc3c2cccc3)cc(c1OC)OC |
| Title of publication | Comparison of <i>N</i>-(3,4,5-trimethoxybenzylidene)naphthalen-1-amine and its reduction product <i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine |
| Authors of publication | Garay, Alexander; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | 210 - 215 |
| a | 9.446 ± 0.0017 Å |
| b | 11.0868 ± 0.0018 Å |
| c | 15.8195 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1656.7 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0592 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019405.cif 2019405.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019405.cif 2019405.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019405.cif 2019405.hkl |
| 104768 | 2014-03-11 | cif/ hkl/ Adding structures of 2019404, 2019405 via cif-deposit CGI script. |
2019405.cif 2019405.hkl |
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Users of the data should acknowledge the original authors of the
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