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Information card for entry 4028207
Preview
Coordinates | 4028207.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H13 B F N3 O2 |
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Calculated formula | C19 H13 B F N3 O2 |
SMILES | [B]12(F)OC(=Nc3[n]2c(N=C(O1)c1ccccc1)ccc3)c1ccccc1 |
Title of publication | Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging |
Authors of publication | Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 4410 - 4418 |
a | 11.5254 ± 0.0003 Å |
b | 11.2153 ± 0.0003 Å |
c | 12.6004 ± 0.0004 Å |
α | 90° |
β | 101.352 ± 0.001° |
γ | 90° |
Cell volume | 1596.87 ± 0.08 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0706 |
Residual factor for significantly intense reflections | 0.0564 |
Weighted residual factors for significantly intense reflections | 0.1276 |
Weighted residual factors for all reflections included in the refinement | 0.138 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4028207.html
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Users of the data should acknowledge the original authors of the
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