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Information card for entry 1545367
Preview
Coordinates | 1545367.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38.5 H57 B Mg N2 O3 |
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Calculated formula | C35 H53 B Mg N2 O3 |
Title of publication | Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage |
Authors of publication | Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S. |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
Journal volume | 8 |
Journal issue | 5 |
Pages of publication | 3529 |
a | 13.48093 ± 0.00017 Å |
b | 14.64625 ± 0.00015 Å |
c | 18.8268 ± 0.0002 Å |
α | 90° |
β | 94.1686 ± 0.0012° |
γ | 90° |
Cell volume | 3707.42 ± 0.07 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 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 | 0.0607 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.123 |
Weighted residual factors for all reflections included in the refinement | 0.1306 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1545367.html
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structural data.