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Information card for entry 4027124
Preview
| Coordinates | 4027124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C101 H138 B4 N8 O8 |
|---|---|
| Calculated formula | C101 H137 B4 N8 O8 |
| Title of publication | Use of F-BODIPYs as a Protection Strategy for Dipyrrins: Optimization of BF2Removal |
| Authors of publication | Deborah A. Smithen; Alexander E. G. Baker; Matthew Offman; Sarah M. Crawford; T. Stanley Cameron; Alison Thompson |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2012 |
| Journal volume | 77 |
| Pages of publication | 3439 - 3453 |
| a | 12.8615 ± 0.0001 Å |
| b | 19.9997 ± 0.0004 Å |
| c | 20.5839 ± 0.0002 Å |
| α | 83.399 ± 0.003° |
| β | 76.527 ± 0.0019° |
| γ | 89.713 ± 0.003° |
| Cell volume | 5113.57 ± 0.13 Å3 |
| Cell temperature | 296.1 K |
| Ambient diffraction temperature | 296.1 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 significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4027124.cif |
| 81192 | 2013-04-14 | cif/ Adding structures of 4027124 via cif-deposit CGI script. |
4027124.cif |
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Users of the data should acknowledge the original authors of the
structural data.