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Information card for entry 1559056
Preview
Coordinates | 1559056.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H48 B2 N3 Se |
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Calculated formula | C30 H48 B2 N3 Se |
SMILES | [Se](c1ccccc1)/[B](=C1\N(C(CC1(C)C)(C)C)c1c(C(C)C)cccc1C(C)C)B(N(C)C)N(C)C |
Title of publication | Phosphinoborylenes as stable sources of fleeting borylenes |
Authors of publication | Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger |
Journal of publication | Chemical Science |
Year of publication | 2020 |
a | 9.5614 ± 0.0004 Å |
b | 15.9406 ± 0.0005 Å |
c | 19.9983 ± 0.0008 Å |
α | 92.415 ± 0.001° |
β | 90.487 ± 0.001° |
γ | 91.622 ± 0.001° |
Cell volume | 3044 ± 0.2 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 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 | 0.0358 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0771 |
Weighted residual factors for all reflections included in the refinement | 0.0806 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
274567 (current) | 2022-04-19 | cif/1: Fixing some Z values and formulae |
1559056.cif |
256331 | 2020-09-11 | cif/ Adding structures of 1559051, 1559052, 1559053, 1559054, 1559055, 1559056 via cif-deposit CGI script. |
1559056.cif |
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Users of the data should acknowledge the original authors of the
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