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Information card for entry 1506403
Preview
| Coordinates | 1506403.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 B F2 N2 |
|---|---|
| Calculated formula | C18 H17 B F2 N2 |
| SMILES | [B]1(F)(F)[n]2cccc2=C(c2n1ccc2)c1c(cc(cc1C)C)C |
| Title of publication | Structural control of the photodynamics of boron-dipyrrin complexes. |
| Authors of publication | Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2005 |
| Journal volume | 109 |
| Journal issue | 43 |
| Pages of publication | 20433 - 20443 |
| a | 16.7533 ± 0.0002 Å |
| b | 10.6616 ± 0.0001 Å |
| c | 17.2351 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3078.48 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506403.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506403.cif |
| 50285 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506400, 1506401, 1506402, 1506403, 1506404 via cif-deposit CGI script. |
1506403.cif |
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Users of the data should acknowledge the original authors of the
structural data.