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Information card for entry 4518134
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Coordinates | 4518134.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H86 Al B N2 O7 |
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Calculated formula | C96 H86 Al B N2 O7 |
Title of publication | Catalyst-Controlled Regioselective Carbonylation of Isobutylene Oxide to Pivalolactone |
Authors of publication | Hubbell, Aran K.; Lamb, Jessica R.; Klimovica, Kristine; Mulzer, Michael; Shaffer, Timothy D.; MacMillan, Samantha N.; Coates, Geoffrey W. |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 12537 - 12543 |
a | 14.16596 ± 0.00004 Å |
b | 24.26807 ± 0.00008 Å |
c | 21.69468 ± 0.00007 Å |
α | 90° |
β | 95.347 ± 0.0003° |
γ | 90° |
Cell volume | 7425.75 ± 0.04 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.0404 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.1056 |
Weighted residual factors for all reflections included in the refinement | 0.1066 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4518134.html
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structural data.