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Information card for entry 1520444
Preview
| Coordinates | 1520444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50.45 H44.9 B Cl2.9 F2 N3 |
|---|---|
| Calculated formula | C50.45 H44.9 B Cl2.9 F2 N3 |
| Title of publication | Carbazole-Based Boron Dipyrromethenes (BODIPYs): Facile Synthesis, Structures, and Fine-Tunable Optical Properties. |
| Authors of publication | Maeda, Chihiro; Todaka, Takumi; Ema, Tadashi |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 12 |
| Pages of publication | 3090 - 3093 |
| a | 8.0911 ± 0.0018 Å |
| b | 21.853 ± 0.005 Å |
| c | 25.007 ± 0.006 Å |
| α | 90° |
| β | 97.291 ± 0.006° |
| γ | 90° |
| Cell volume | 4385.9 ± 1.8 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1108 |
| Residual factor for significantly intense reflections | 0.0935 |
| Weighted residual factors for significantly intense reflections | 0.2579 |
| Weighted residual factors for all reflections included in the refinement | 0.2764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
1520444.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520444.cif |
| 140268 | 2015-07-05 | cif/ Updating files of 1520439, 1520440, 1520441, 1520442, 1520443, 1520444, 1520445 Original log message: Adding full bibliography for 1520439--1520445.cif. |
1520444.cif |
| 138952 | 2015-06-09 | cif/ Adding structures of 1520444 via cif-deposit CGI script. |
1520444.cif |
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Users of the data should acknowledge the original authors of the
structural data.