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Information card for entry 7031220
Preview
Coordinates | 7031220.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H38 B2 N2 |
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Calculated formula | C34 H38 B2 N2 |
SMILES | N1([C@H](c2c(B1c1ccccc1)cccc2)[C@@H]1N(C(C)(C)C)B(c2ccccc2)c2c1cccc2)C(C)(C)C.N1([C@@H](c2c(B1c1ccccc1)cccc2)[C@H]1N(C(C)(C)C)B(c2ccccc2)c2c1cccc2)C(C)(C)C |
Title of publication | Reduction of C,N-chelated chloroborane: straightforward formation of the unprecedented 1H-2,1-benzazaborolyl potassium salt. |
Authors of publication | Hejda, Martin; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 24 |
Pages of publication | 9012 - 9015 |
a | 8.914 ± 0.0005 Å |
b | 22.767 ± 0.002 Å |
c | 14.1571 ± 0.0012 Å |
α | 90° |
β | 94.96 ± 0.006° |
γ | 90° |
Cell volume | 2862.4 ± 0.4 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0835 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1289 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/7031220.html
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Users of the data should acknowledge the original authors of the
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