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Information card for entry 4124342
Preview
Coordinates | 4124342.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H18 B O4 |
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Calculated formula | C28 H18 B O4 |
SMILES | B12(Oc3ccc4CC(=Cc5ccc(c3c45)O1)C)Oc1ccc3CC(=Cc4ccc(O2)c1c34)C |
Title of publication | Band Structure Engineering by Substitutional Doping in Solid-State Solutions of [5-Me-PLY(O,O)]2B(1-x)Bex Radical Crystals. |
Authors of publication | Bag, Pradip; Itkis, Mikhail E.; Stekovic, Dejan; Pal, Sushanta K.; Tham, Fook S.; Haddon, Robert C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 31 |
Pages of publication | 10000 - 10008 |
a | 7.4193 ± 0.0005 Å |
b | 10.7808 ± 0.0008 Å |
c | 12.6115 ± 0.0009 Å |
α | 95.9478 ± 0.0011° |
β | 99.2334 ± 0.0011° |
γ | 99.8081 ± 0.0011° |
Cell volume | 972.19 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0804 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.1372 |
Weighted residual factors for all reflections included in the refinement | 0.1515 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/4124342.html
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Users of the data should acknowledge the original authors of the
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