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Information card for entry 7040290
Preview
Coordinates | 7040290.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Compound 7 |
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Formula | C37 H56 B Ca N3 O |
Calculated formula | C37 H56 B Ca N3 O |
SMILES | [Ca]1([O]2CCCC2)(N(c2ccccc2C=[N]1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)[N](C)(C)[BH3] |
Title of publication | The significance of secondary interactions during alkaline earth-promoted dehydrogenation of dialkylamine-boranes. |
Authors of publication | Bellham, Peter; Anker, Mathew D.; Hill, Michael S.; Kociok-Köhn, Gabriele; Mahon, Mary F. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 35 |
Pages of publication | 13969 - 13978 |
a | 10.3026 ± 0.0005 Å |
b | 31.9329 ± 0.0016 Å |
c | 11.982 ± 0.0005 Å |
α | 90° |
β | 110.693 ± 0.003° |
γ | 90° |
Cell volume | 3687.7 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0994 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1169 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7040290.html
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