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Information card for entry 2238967
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| Coordinates | 2238967.cif |
|---|---|
| Structure factors | 2238967.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,3-Bis{[2,3-dimethyl-6-(phenylvinyl)phenyl]imino}butane |
|---|---|
| Formula | C36 H36 N2 |
| Calculated formula | C36 H36 N2 |
| SMILES | CC(=N\c1c(C)c(C)ccc1C(=C)c1ccccc1)/C(=N/c1c(C)c(C)ccc1C(=C)c1ccccc1)C |
| Title of publication | 2,3-Bis{[2,3-dimethyl-6-(phenylvinyl)phenyl]imino}butane |
| Authors of publication | Zhao, Jie; Yuan, Jianchao; Xu, Weibing; Chen, Jingjing; Mu, Yanqiong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o130 |
| a | 9.613 ± 0.008 Å |
| b | 16.285 ± 0.014 Å |
| c | 9.639 ± 0.008 Å |
| α | 90° |
| β | 101.679 ± 0.009° |
| γ | 90° |
| Cell volume | 1478 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.178 |
| Residual factor for significantly intense reflections | 0.1034 |
| Weighted residual factors for significantly intense reflections | 0.2668 |
| Weighted residual factors for all reflections included in the refinement | 0.3266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181889 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89. |
2238967.cif 2238967.hkl |
| 181308 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/89. |
2238967.cif 2238967.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238967.cif 2238967.hkl |
| 104799 | 2014-03-11 | cif/ hkl/ Adding structures of 2238967 via cif-deposit CGI script. |
2238967.cif 2238967.hkl |
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