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Information card for entry 1518571
Preview
Coordinates | 1518571.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H13 N O3 |
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Calculated formula | C8 H13 N O3 |
SMILES | C1(=O)C=C(CO)OCCCN1C |
Title of publication | Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides. |
Authors of publication | Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L. |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 3 |
Pages of publication | 418 - 421 |
a | 7.0255 ± 0.0007 Å |
b | 8.3274 ± 0.0008 Å |
c | 8.5054 ± 0.0008 Å |
α | 64.8193 ± 0.0014° |
β | 75.8585 ± 0.0015° |
γ | 86.3999 ± 0.0015° |
Cell volume | 436.19 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0375 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0852 |
Weighted residual factors for all reflections included in the refinement | 0.0879 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/1518571.html
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