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Information card for entry 7036670
Preview
Coordinates | 7036670.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H10 B F15 O2 |
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Calculated formula | C30 H10 B F15 O2 |
SMILES | c1(c(c(c(c(c1F)F)F)[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c2ccccc2)[o+]c(OC)cc1)F)F |
Title of publication | Lewis acid-base 1,2-addition reactions: synthesis of pyrylium borates from en-ynoate precursors. |
Authors of publication | Wilkins, Lewis C.; Hamilton, Hugh B.; Kariuki, Benson M.; Hashmi, A Stephen K; Hansmann, Max M.; Melen, Rebecca L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 14 |
Pages of publication | 5929 - 5932 |
a | 10.53693 ± 0.0001 Å |
b | 13.77283 ± 0.00016 Å |
c | 36.361 ± 0.0004 Å |
α | 90° |
β | 95.1711 ± 0.001° |
γ | 90° |
Cell volume | 5255.35 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0387 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0881 |
Weighted residual factors for all reflections included in the refinement | 0.0915 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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