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Information card for entry 1515713
Preview
Coordinates | 1515713.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H14 B F2 N3 O2 |
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Calculated formula | C17 H14 B F2 N3 O2 |
SMILES | F[B]1([n]2c(=C(c3ccc(N(=O)=O)cc3)c3n1c(C)cc3)ccc2C)F |
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 | 6.4804 ± 0.0007 Å |
b | 8.3217 ± 0.0009 Å |
c | 14.6304 ± 0.0016 Å |
α | 80.583 ± 0.002° |
β | 84.666 ± 0.002° |
γ | 85.576 ± 0.002° |
Cell volume | 773.44 ± 0.15 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0445 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.1034 |
Weighted residual factors for all reflections included in the refinement | 0.1102 |
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. |
1515713.cif |
111988 | 2014-04-28 | cif/ Adding structures of 1515709, 1515710, 1515711, 1515712, 1515713, 1515714 via cif-deposit CGI script. |
1515713.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.