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Information card for entry 1515710
Preview
Coordinates | 1515710.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H20 B F2 N3 |
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Calculated formula | C19 H20 B F2 N3 |
SMILES | n12c(C(=c3[n](c(C)cc3C)[B]2(F)F)c2ccc(N)cc2)c(cc1C)C |
Title of publication | Modulation of the spectroscopic property of Bodipy derivates through tuning the molecular configuration. |
Authors of publication | Chen, Yuting; Wan, Liang; Zhang, Daopeng; Bian, Yongzhong; Jiang, Jianzhuang |
Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
Year of publication | 2011 |
Journal volume | 10 |
Journal issue | 6 |
Pages of publication | 1030 - 1038 |
a | 10.8454 ± 0.001 Å |
b | 11.8897 ± 0.0011 Å |
c | 13.999 ± 0.0013 Å |
α | 90° |
β | 105.262 ± 0.001° |
γ | 90° |
Cell volume | 1741.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0836 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.087 |
Weighted residual factors for all reflections included in the refinement | 0.0987 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
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. |
1515710.cif |
111988 | 2014-04-28 | cif/ Adding structures of 1515709, 1515710, 1515711, 1515712, 1515713, 1515714 via cif-deposit CGI script. |
1515710.cif |
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Users of the data should acknowledge the original authors of the
structural data.