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Information card for entry 7221604
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Coordinates | 7221604.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | MP(DNP) |
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Chemical name | 2,4-dinitrophenol-1-methylpiperidine (1:1) |
Formula | C12 H17 N3 O5 |
Calculated formula | C12 H17 N3 O5 |
SMILES | [O-]c1c(cc(cc1)N(=O)=O)N(=O)=O.[NH+]1(CCCCC1)C |
Title of publication | First Report of Application of Simple Molecular Complexes as Organo-Catalyst for Knoevenagel Condensation |
Authors of publication | Saha, Satyen; Panja, Sumit Kumar; Dwivedi, Nidhi |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 7.5357 ± 0.0006 Å |
b | 17.1542 ± 0.0011 Å |
c | 10.8286 ± 0.0009 Å |
α | 90° |
β | 102.802 ± 0.009° |
γ | 90° |
Cell volume | 1365 ± 0.19 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0976 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1283 |
Weighted residual factors for all reflections included in the refinement | 0.1521 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/7221604.html
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Users of the data should acknowledge the original authors of the
structural data.