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Information card for entry 4112405
Preview
Coordinates | 4112405.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H15 N O4 |
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Calculated formula | C18 H15 N O4 |
SMILES | O=C(C(O)/C(=C/C=C)c1ccc(cc1)N(=O)=O)c1ccccc1 |
Title of publication | Hydrogen-Mediated C-C Bond Formation: Catalytic Regio- and Stereoselective Reductive Condensation of α-Keto Aldehydes and 1,3-Enynes |
Authors of publication | Hye-Young Jang; Ryan R. Huddleston; Michael J. Krische |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 4664 - 4668 |
a | 15.611 ± 0.0008 Å |
b | 9.5413 ± 0.0004 Å |
c | 10.5184 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1566.71 ± 0.12 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1551 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.0805 |
Weighted residual factors for all reflections included in the refinement | 0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
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/4112405.html
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