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Information card for entry 7158057
Preview
Coordinates | 7158057.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H12 B F10 N |
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Calculated formula | C25 H12 B F10 N |
SMILES | Fc1c(F)c(F)c(c(F)c1F)[BH]([NH]1c2ccccc2Cc2c1cccc2)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | The synthesis, properties, and reactivity of Lewis acidic aminoboranes. |
Authors of publication | Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 21 |
Pages of publication | 4796 - 4802 |
a | 11.1178 ± 0.0006 Å |
b | 12.3316 ± 0.0006 Å |
c | 15.8444 ± 0.0008 Å |
α | 83.703 ± 0.002° |
β | 89.331 ± 0.002° |
γ | 89.752 ± 0.002° |
Cell volume | 2159.01 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 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 | 0.0603 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.1199 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
297289 (current) | 2025-01-11 | cif/7: Updating Z values and formulae |
7158057.cif |
266177 | 2021-06-05 | cif/ Updating files of 7158056, 7158057, 7158058, 7158059, 7158060 Original log message: Adding full bibliography for 7158056--7158060.cif. |
7158057.cif |
265034 | 2021-05-07 | cif/ Adding structures of 7158056, 7158057, 7158058, 7158059, 7158060 via cif-deposit CGI script. |
7158057.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.