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Information card for entry 1555301
Preview
Coordinates | 1555301.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H43 N7 O11 S |
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Calculated formula | C34 H43 N7 O11 S |
SMILES | O.CS(C)=O.c1(ccc(cc1)C(=O)Nc1c2cccc1OCC(=O)NCCCCNC(=O)c1cccc(C(=O)NCCCCNC(=O)CO2)n1)N(=O)=O |
Title of publication | A General Method for Synthesis of Unclosed Cryptands via H-Bond Templated Macrocyclization and Subsequent Mild Postfunctionalization. |
Authors of publication | Dabrowa, Kajetan; Niedbala, Patryk; Majdecki, Maciej; Duszewski, Piotr; Jurczak, Janusz |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 19 |
Pages of publication | 4774 - 4777 |
a | 13.5559 ± 0.0002 Å |
b | 16.9708 ± 0.0003 Å |
c | 16.5586 ± 0.0003 Å |
α | 90° |
β | 103.987 ± 0.002° |
γ | 90° |
Cell volume | 3696.43 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0675 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1149 |
Weighted residual factors for all reflections included in the refinement | 0.1275 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1555301.html
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Users of the data should acknowledge the original authors of the
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