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Information card for entry 4029468
Preview
Coordinates | 4029468.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H31 Co2 N O9 S Si |
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Calculated formula | C22 H31 Co2 N O9 S Si |
SMILES | [Co]12([Co]3([CH]1=[C]23[C@@]1(N(S(=O)(=O)C(C)(C)C)[C@@H]1CO[Si](C)(C)C(C)(C)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions. |
Authors of publication | Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 11 |
Pages of publication | 5121 - 5133 |
a | 12.5959 ± 0.0011 Å |
b | 12.7985 ± 0.0011 Å |
c | 18.2292 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2938.7 ± 0.4 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 7 |
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 | 0.0403 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0857 |
Weighted residual factors for all reflections included in the refinement | 0.087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.24 |
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/4029468.html
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Users of the data should acknowledge the original authors of the
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