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Information card for entry 1502888
Preview
Coordinates | 1502888.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | MA30 |
---|---|
Chemical name | frechet08 |
Formula | C74 H81 F24 N11 O5 P4 |
Calculated formula | C74 H79 F24 N11 O5 P4 |
SMILES | c12cccc3c(cccc13)C=NCCOCCOCCN=Cc1ccc(cc1)C=NCCOCCOCCN=C2.c1cc2cc[n+]1Cc1ccc(C[n+]3ccc(c4cc[n+](Cc5ccc(C[n+]6ccc2cc6)cc5)cc4)cc3)cc1.C(#N)C.C(#N)C.C(#N)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[O] |
Title of publication | Dual selectivity expressed in [2 + 2 + 1] dynamic clipping of unsymmetrical [2]catenanes. |
Authors of publication | Koshkakaryan, Gayane; Cao, Dennis; Klivansky, Liana M.; Teat, Simon J.; Tran, Jasper L.; Liu, Yi |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 7 |
Pages of publication | 1528 - 1531 |
a | 13.4848 ± 0.0007 Å |
b | 14.4359 ± 0.0007 Å |
c | 22.2157 ± 0.0016 Å |
α | 101.795 ± 0.004° |
β | 98.237 ± 0.004° |
γ | 104.531 ± 0.003° |
Cell volume | 4010.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0889 |
Residual factor for significantly intense reflections | 0.081 |
Weighted residual factors for significantly intense reflections | 0.2172 |
Weighted residual factors for all reflections included in the refinement | 0.225 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1502888.html
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