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Information card for entry 2240111
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| Coordinates | 2240111.cif |
|---|---|
| Structure factors | 2240111.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>-[(<i>E</i>)-3-(4-Methoxyphenyl)allylidene]naphthalen-1-amine |
|---|---|
| Formula | C20 H17 N O |
| Calculated formula | C20 H17 N O |
| SMILES | O(c1ccc(/C=C/C=N/c2cccc3ccccc23)cc1)C |
| Title of publication | Crystal structure of (<i>E</i>)-<i>N</i>-[(<i>E</i>)-3-(4-methoxyphenyl)allylidene]naphthalen-1-amine |
| Authors of publication | Lee, Jae Kyun; Cha, Joo Hwan; Cho, Yong Seo; Min, Sun-Joon; Lee, Joon Kyun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1174 |
| a | 7.8278 ± 0.0008 Å |
| b | 9.8931 ± 0.001 Å |
| c | 11.3929 ± 0.0013 Å |
| α | 69.307 ± 0.003° |
| β | 73.561 ± 0.003° |
| γ | 81.375 ± 0.003° |
| Cell volume | 790.39 ± 0.15 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240111.cif 2240111.hkl |
| 181321 | 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 2/24/01. |
2240111.cif 2240111.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. |
2240111.cif 2240111.hkl |
| 125893 | 2014-10-26 | cif/ hkl/ Adding structures of 2240111 via cif-deposit CGI script. |
2240111.cif 2240111.hkl |
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Users of the data should acknowledge the original authors of the
structural data.