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Information card for entry 7036363
Preview
Coordinates | 7036363.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N,N-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydroacenaphthylen-5-ammonium trifluoromethanesulfonate |
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Formula | C21 H27 B F3 N O5 S |
Calculated formula | C21 H27 B F3 N O5 S |
Title of publication | Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity. |
Authors of publication | Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 42 |
Pages of publication | 18340 - 18346 |
a | 11.2629 ± 0.0005 Å |
b | 14.1537 ± 0.0005 Å |
c | 23.1015 ± 0.0007 Å |
α | 82.829 ± 0.003° |
β | 82.555 ± 0.003° |
γ | 69.131 ± 0.004° |
Cell volume | 3399.7 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1415 |
Residual factor for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections | 0.122 |
Weighted residual factors for significantly intense reflections | 0.0868 |
Weighted residual factors for all reflections included in the refinement | 0.0831 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0658 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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