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Information card for entry 1520373
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Coordinates | 1520373.cif |
---|
Formula | C19 H26 B6 O13.5 P |
---|---|
Calculated formula | C19 H25 B6 O13.4995 P |
SMILES | [B]12(OB(O)OB(O)O2)OB(O)OB(O1)O.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.B(O)(O)O.O |
Title of publication | C19H21B6O13.5P |
Authors of publication | Beckett, Michael A.; Timmis, James; Horton, Peter N.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2009 |
Pages of publication | 702 |
a | 10.1076 ± 0.001 Å |
b | 13.0403 ± 0.001 Å |
c | 20.626 ± 0.0015 Å |
α | 84.364 ± 0.005° |
β | 82.811 ± 0.004° |
γ | 76.492 ± 0.004° |
Cell volume | 2615.9 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.1042 |
Residual factor for significantly intense reflections | 0.0749 |
Weighted residual factors for significantly intense reflections | 0.1527 |
Weighted residual factors for all reflections included in the refinement | 0.173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1520373.html
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