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Information card for entry 7046231
Preview
Coordinates | 7046231.cif |
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Original paper (by DOI) | HTML |
Chemical name | BODIPY_phosphole |
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Formula | C72 H59 B F N2 O4.5 P2 |
Calculated formula | C72 H59 B F N2 O4.5 P2 |
Title of publication | Regioselective functionalization at the 7-position of 1,2,3-triphenylbenzo[b]phosphole oxide via P[double bond, length as m-dash]O-directed lithiation. |
Authors of publication | Wakatsuki, Ayana; Yukimoto, Mariko; Minoura, Mao; Fujii, Kaori; Kimura, Yoshifumi; Matano, Yoshihiro |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 21 |
Pages of publication | 7123 - 7127 |
a | 35.9407 ± 0.001 Å |
b | 10.2627 ± 0.0004 Å |
c | 32.052 ± 0.0007 Å |
α | 90° |
β | 94.421 ± 0.002° |
γ | 90° |
Cell volume | 11787.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0684 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1586 |
Weighted residual factors for all reflections included in the refinement | 0.1716 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
Diffraction radiation wavelength | 0.78228 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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