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Information card for entry 4029143
Preview
Coordinates | 4029143.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H24 N4 O2 |
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Calculated formula | C14 H24 N4 O2 |
SMILES | C1(=O)[C@@H](CN2CCN3CCCN4CCN1[C@@H]2[C@@H]34)CCO.C1(=O)[C@H](CN2CCN3CCCN4CCN1[C@H]2[C@H]34)CCO |
Title of publication | Full Control of the Regiospecific N-Functionalization of C-Functionalized Cyclam Bisaminal Derivatives and Application to the Synthesis of their TETA, TE2A, and CB-TE2A Analogues. |
Authors of publication | Camus, Nathalie; Halime, Zakaria; Le Bris, Nathalie; Bernard, Hélène; Platas-Iglesias, Carlos; Tripier, Raphaël |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 5 |
Pages of publication | 1885 - 1899 |
a | 8.0687 ± 0.0005 Å |
b | 16.6793 ± 0.001 Å |
c | 20.4007 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2745.5 ± 0.3 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Ambient diffracton pressure | 100 kPa |
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 | 0.0756 |
Residual factor for significantly intense reflections | 0.0556 |
Weighted residual factors for significantly intense reflections | 0.1356 |
Weighted residual factors for all reflections included in the refinement | 0.1441 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation probe | x-ray |
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/4029143.html
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Users of the data should acknowledge the original authors of the
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