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Information card for entry 7205470
Preview
Coordinates | 7205470.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H17 B N6 O |
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Calculated formula | C30 H17 B N6 O |
SMILES | O(c1ccccc1)[B]12n3c4N=c5[n]2c(N=c2n1c(=Nc3c1c4cccc1)c1ccccc21)c1ccccc51 |
Title of publication | Observations regarding the crystal structures of non-halogenated phenoxyboronsubphthalocyanines having para substituents on the phenoxy group |
Authors of publication | Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 3 |
Pages of publication | 914 |
a | 10.0492 ± 0.0005 Å |
b | 10.7503 ± 0.0004 Å |
c | 11.8342 ± 0.0005 Å |
α | 85.893 ± 0.002° |
β | 77.451 ± 0.0019° |
γ | 66.043 ± 0.002° |
Cell volume | 1140.22 ± 0.09 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 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 | 0.079 |
Residual factor for significantly intense reflections | 0.0519 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Weighted residual factors for all reflections included in the refinement | 0.1448 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/7205470.html
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