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Information card for entry 1503445
Preview
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 |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503445.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503445.cif |
37313 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503442, 1503443, 1503444, 1503445, 1503446 via cif-deposit CGI script. |
1503445.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.