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Information card for entry 1507518
Preview
Coordinates | 1507518.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H26 N2 O7 S |
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Calculated formula | C24 H26 N2 O7 S |
SMILES | N1([C@]2([C@H](CCC1)OC(=O)c1ccc(cc1)N(=O)=O)C(=O)CCCC2)S(=O)(=O)c1ccc(cc1)C.N1([C@@]2([C@@H](CCC1)OC(=O)c1ccc(cc1)N(=O)=O)C(=O)CCCC2)S(=O)(=O)c1ccc(cc1)C |
Title of publication | Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements |
Authors of publication | Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R. |
Journal of publication | Organic Letters |
Year of publication | 2001 |
Journal volume | 3 |
Journal issue | 13 |
Pages of publication | 2109 |
a | 21.9379 ± 0.0008 Å |
b | 13.6295 ± 0.0004 Å |
c | 23.4087 ± 0.0008 Å |
α | 90° |
β | 95.352 ± 0.001° |
γ | 90° |
Cell volume | 6968.7 ± 0.4 Å3 |
Cell temperature | 173.2 K |
Ambient diffraction temperature | 173.2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0724 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for all reflections | 0.1043 |
Weighted residual factors for all reflections included in the refinement | 0.045 |
Goodness-of-fit parameter for all reflections | 0.966 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation wavelength | 0.7107 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/1507518.html
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Users of the data should acknowledge the original authors of the
structural data.