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Information card for entry 1507361
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1507361.cif |
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Original paper (by DOI) | HTML |
Formula | C42 H50 N6 O9 |
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Calculated formula | C42 H50 N6 O9 |
SMILES | O=C1C(C(=O)C(=CNc2ccccc2NC(=O)OC(C)(C)C)C(=O)C1=CNc1ccccc1NC(=O)OC(C)(C)C)=CNc1ccccc1NC(=O)OC(C)(C)C |
Title of publication | Highly stable keto-enamine salicylideneanilines. |
Authors of publication | Chong, Jonathan H.; Sauer, Marc; Patrick, Brian O.; MacLachlan, Mark J. |
Journal of publication | Organic letters |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 21 |
Pages of publication | 3823 - 3826 |
a | 11.2522 ± 0.0005 Å |
b | 22.989 ± 0.0012 Å |
c | 37.8075 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9779.9 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.1556 |
Residual factor for significantly intense reflections | 0.101 |
Weighted residual factors for significantly intense reflections | 0.2585 |
Weighted residual factors for all reflections included in the refinement | 0.2918 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1507361.html
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Users of the data should acknowledge the original authors of the
structural data.