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Information card for entry 4026353
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Coordinates | 4026353.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C138 H90 B2 N4 O8 |
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Calculated formula | C138 H90 B2 N4 O8 |
Title of publication | Chemistry at Boron: Synthesis and Properties of Red to Near-IR Fluorescent Dyes Based on Boron-Substituted Diisoindolomethene Frameworks |
Authors of publication | Gilles Ulrich; Sébastien Goeb; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 4489 - 4505 |
a | 14.0948 ± 0.001 Å |
b | 20.313 ± 0.0011 Å |
c | 20.3589 ± 0.0015 Å |
α | 63.584 ± 0.004° |
β | 79.808 ± 0.003° |
γ | 83.418 ± 0.005° |
Cell volume | 5133.7 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.1245 |
Residual factor for significantly intense reflections | 0.0849 |
Weighted residual factors for significantly intense reflections | 0.235 |
Weighted residual factors for all reflections included in the refinement | 0.2768 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4026353.html
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