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Information card for entry 4120713
Preview
Coordinates | 4120713.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H30 B Cl0 O4 S8 |
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Calculated formula | C34 H30 B O4 S8 |
SMILES | [B]12(Oc3cc(SC)c4c(SC)cc(SC)c5c(SC)cc(=[O]1)c3c45)Oc1cc(SC)c3c(cc(SC)c4c(SC)cc(=[O]2)c1c34)SC |
Title of publication | Synthesis of Tetrachalcogenide-Substituted Phenalenyl Derivatives: Preparation and Solid-State Characterization of Bis(3,4,6,7-tetrathioalkyl-phenalenyl)boron Radicals |
Authors of publication | Pradip Bag; Sushanta K. Pal; Mikhail E. Itkis; Arindam Sarkar; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 12936 - 12939 |
a | 8.296 ± 0.006 Å |
b | 14.369 ± 0.01 Å |
c | 15.486 ± 0.011 Å |
α | 106.125 ± 0.008° |
β | 102.415 ± 0.008° |
γ | 94.755 ± 0.009° |
Cell volume | 1712 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1134 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1215 |
Weighted residual factors for all reflections included in the refinement | 0.1367 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.893 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4120713.html
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Users of the data should acknowledge the original authors of the
structural data.