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Information card for entry 7013923
Preview
Coordinates | 7013923.cif |
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Original paper (by DOI) | HTML |
Formula | C47 H68 B Li N4 |
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Calculated formula | C47 H68 B Li N4 |
SMILES | [B]1(c2cccc3cccc(c23)C2(C=1C(=CC(=C2)C)C)C)c1c(cc(cc1C)C)C.[Li]12([N](CC[N]1(C)C)(C)C)[N](CC[N]2(C)C)(C)C.c1(ccccc1)C |
Title of publication | Reactivity of the dimesityl-1,8-naphthalenediylborate anion: isolation of the borataalkene isomer and synthesis of 1,8-diborylnaphthalenes. |
Authors of publication | Hoefelmeyer, James D.; Solé, Stéphane; Gabbaï, François P |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2004 |
Journal issue | 8 |
Pages of publication | 1254 - 1258 |
a | 18.007 ± 0.002 Å |
b | 14.3779 ± 0.0019 Å |
c | 16.731 ± 0.002 Å |
α | 90° |
β | 97.703 ± 0.003° |
γ | 90° |
Cell volume | 4292.6 ± 0.9 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0917 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.1245 |
Weighted residual factors for all reflections included in the refinement | 0.1394 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7013923.html
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