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Information card for entry 7215545
Preview
| Coordinates | 7215545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H32 N6 O3 |
|---|---|
| Calculated formula | C31 H31 N6 O3 |
| Title of publication | Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores |
| Authors of publication | Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 589 - 596 |
| a | 21.2261 ± 0.0018 Å |
| b | 7.0551 ± 0.0006 Å |
| c | 19.115 ± 0.0016 Å |
| α | 90° |
| β | 99.781 ± 0.001° |
| γ | 90° |
| Cell volume | 2820.9 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1084 |
| Residual factor for significantly intense reflections | 0.0971 |
| Weighted residual factors for significantly intense reflections | 0.2567 |
| Weighted residual factors for all reflections included in the refinement | 0.2649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7200270 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218443 (current) | 2019-09-18 | cif/7/21/55/ Marked entries 7215544-7215546 as duplicates of entries 7200269-7200271. |
7215545.cif |
| 218442 | 2019-09-18 | cif/7/21/55/ Updated bibliographic information in entries 7215544-7215546. |
7215545.cif |
| 180486 | 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 7/21/55. |
7215545.cif |
| 112517 | 2014-05-02 | cif/ Adding structures of 7215544, 7215545, 7215546 via cif-deposit CGI script. |
7215545.cif |
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Users of the data should acknowledge the original authors of the
structural data.