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Information card for entry 1506526
Preview
Coordinates | 1506526.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H56 F18 N6 O16 |
---|---|
Calculated formula | C54 H55 F18 N6 O16 |
SMILES | O=C(OCC)c1[nH]c(c(c1C)C)c1[nH]c(c(c1C)C)c1[nH+]c(c(c1C)C)=c1[nH+]c(c(c1C)C)c1[nH]c(c(c1C)C)c1[nH]c(c(c1C)C)C(=O)OCC.O=C(C(F)(F)F)O.[O-]C(=O)C(F)(F)F.OC(=O)C(F)(F)F.O=C([O-])C(F)(F)F.OC(=O)C(F)(F)F.O=C(O)C(F)(F)F |
Title of publication | Facile syntheses of quater-, penta-, and sexipyrroles. |
Authors of publication | Sessler, Jonathan L.; Aguilar, Apolonio; Sanchez-Garcia, David; Seidel, Daniel; Köhler, Thomas; Arp, Forrest; Lynch, Vincent M. |
Journal of publication | Organic letters |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 10 |
Pages of publication | 1887 - 1890 |
a | 8.5826 ± 0.0001 Å |
b | 10.7345 ± 0.0001 Å |
c | 34.6417 ± 0.0005 Å |
α | 88.214 ± 0.001° |
β | 83.085 ± 0.001° |
γ | 74.848 ± 0.001° |
Cell volume | 3058.18 ± 0.07 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1253 |
Residual factor for significantly intense reflections | 0.0735 |
Weighted residual factors for significantly intense reflections | 0.1357 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
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/1506526.html
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Users of the data should acknowledge the original authors of the
structural data.