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Information card for entry 1503231
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Coordinates | 1503231.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H46 N4 O3 |
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Calculated formula | C29 H46 N4 O3 |
SMILES | c1(c([O-])c(ccc1)/C=N/c1ccccc1N)N(=O)=O.C(CCC)[N+](CCCC)(CCCC)CCCC |
Title of publication | Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes. |
Authors of publication | Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W. |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 20 |
Pages of publication | 4592 - 4595 |
a | 16.092 Å |
b | 13.971 Å |
c | 12.527 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2816.34 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0542 |
Residual factor for significantly intense reflections | 0.0458 |
Weighted residual factors for significantly intense reflections | 0.1132 |
Weighted residual factors for all reflections included in the refinement | 0.1197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/1503231.html
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Users of the data should acknowledge the original authors of the
structural data.