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Information card for entry 1503445
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1503445.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H15 N O2 |
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Calculated formula | C10 H15 N O2 |
SMILES | O1[C@H](C(C)(C)C)C[C@@](C#N)(C1=O)C.O1[C@@H](C(C)(C)C)C[C@@](C1=O)(C#N)C |
Title of publication | Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity. |
Authors of publication | Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F. |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 13 |
Pages of publication | 3030 - 3033 |
a | 10.557 ± 0.007 Å |
b | 10.13 ± 0.006 Å |
c | 10.861 ± 0.007 Å |
α | 90° |
β | 110.844 ± 0.01° |
γ | 90° |
Cell volume | 1085.5 ± 1.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.1505 |
Residual factor for significantly intense reflections | 0.1262 |
Weighted residual factors for significantly intense reflections | 0.3396 |
Weighted residual factors for all reflections included in the refinement | 0.3586 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.381 |
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/1503445.html
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Users of the data should acknowledge the original authors of the
structural data.