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Information card for entry 7036361
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Coordinates | 7036361.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 8-(Difluoroboryl)-N,N-dimethylnaphthalen-1-amine |
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Formula | C12 H12 B F2 N |
Calculated formula | C12 H12 B F2 N |
SMILES | c12cccc3cccc(c13)[B]([N]2(C)C)(F)F |
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 | 12.1467 ± 0.0005 Å |
b | 10.7629 ± 0.0005 Å |
c | 16.8959 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2208.86 ± 0.17 Å3 |
Cell temperature | 295 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0594 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for all reflections | 0.0781 |
Weighted residual factors for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.0499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0244 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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