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Information card for entry 4514619
Preview
Coordinates | 4514619.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H35 I O |
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Calculated formula | C24 H35 I O |
SMILES | IC12CC(C1)(C2)[C@@H]1CC[C@@]2(C)[C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C |
Title of publication | A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis |
Authors of publication | Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A. |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 10 |
Pages of publication | 9568 |
a | 6.30332 ± 0.00004 Å |
b | 11.85008 ± 0.00009 Å |
c | 28.71209 ± 0.00018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2144.65 ± 0.03 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for all reflections | 0.0967 |
Weighted residual factors for significantly intense reflections | 0.0948 |
Weighted residual factors for all reflections included in the refinement | 0.0967 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9998 |
Diffraction radiation wavelength | 0.6889 Å |
Diffraction radiation type | Synchrotron |
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/4514619.html
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Users of the data should acknowledge the original authors of the
structural data.