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Information card for entry 7215637
Preview
| Coordinates | 7215637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H35 I N2 O2 |
|---|---|
| Calculated formula | C22 H35 I N2 O2 |
| SMILES | [I-].[n+]1(C)ccc(cc1)/C=C/c1ccc(N(CCCC)CCCC)cc1.O.O |
| Title of publication | Design, crystal structures and enhanced frequency-upconverted lasing efficiencies of a new series of dyes from hybrid of inorganic polymers and organic chromophores |
| Authors of publication | Hao, Fuying; Zhang, Xuanjun; Tian, Yupeng; Zhou, Hongping; Li, Lin; Wu, Jieying; Zhang, Shengyi; Yang, Jiaxiang; Jin, Baokang; Tao, Xutang; Zhou, Guangyong; Jiang, Minhua |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2009 |
| Journal volume | 19 |
| Journal issue | 48 |
| Pages of publication | 9163 |
| a | 8.5069 ± 0.001 Å |
| b | 9.9764 ± 0.0014 Å |
| c | 15.946 ± 0.002 Å |
| α | 87.271 ± 0.009° |
| β | 79.544 ± 0.009° |
| γ | 65.359 ± 0.01° |
| Cell volume | 1209.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0636 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.932 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215637.cif |
| 180487 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/56. |
7215637.cif |
| 112648 | 2014-05-03 | cif/ Adding structures of 7215637, 7215638, 7215639, 7215640, 7215641, 7215642 via cif-deposit CGI script. |
7215637.cif |
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Users of the data should acknowledge the original authors of the
structural data.