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Information card for entry 1550755
Preview
Coordinates | 1550755.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H35 B2 N3 Se2 Si2 |
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Calculated formula | C15 H35 B2 N3 Se2 Si2 |
SMILES | [Se]1[B]([Se]B1N([Si](C)(C)C)[Si](C)(C)C)(C(C)(C)C)=C1N(C=CN1C)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 | 11.5 ± 0.005 Å |
b | 12.544 ± 0.006 Å |
c | 16.944 ± 0.007 Å |
α | 90° |
β | 109.6 ± 0.02° |
γ | 90° |
Cell volume | 2302.6 ± 1.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0668 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0848 |
Weighted residual factors for all reflections included in the refinement | 0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
214197 (current) | 2019-03-20 | cif/ Adding structures of 1550755, 1550756, 1550757, 1550758, 1550759, 1550760, 1550761 via cif-deposit CGI script. |
1550755.cif |
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Users of the data should acknowledge the original authors of the
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