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Information card for entry 1550759
Preview
Coordinates | 1550759.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H42 B2 N2 Te2 |
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Calculated formula | C33 H42 B2 N2 Te2 |
SMILES | [Te]1B([Te][B]1(C(C)(C)C)=C1N(C=CN1C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Synthesis of Unsymmetrical B2E2 and B2E3 Heterocycles by Borylene Insertion into Boradichalcogeniranes |
Authors of publication | Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Rempel, Anna; Hagspiel, Stephan; Braunschweig, Holger |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 8.8783 ± 0.0008 Å |
b | 13.1076 ± 0.0011 Å |
c | 14.7911 ± 0.0013 Å |
α | 73.716 ± 0.002° |
β | 75.16 ± 0.003° |
γ | 83.313 ± 0.002° |
Cell volume | 1595.3 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0239 |
Residual factor for significantly intense reflections | 0.0203 |
Weighted residual factors for significantly intense reflections | 0.0532 |
Weighted residual factors for all reflections included in the refinement | 0.0559 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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