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Information card for entry 1506268
Preview
Coordinates | 1506268.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H88 F6 Na O16 P |
---|---|
Calculated formula | C62 H88 F6 Na O16 P |
SMILES | c12cc3c(cc1OCCOCCOCCOCCOc4c([C@H](c5cc6[C@H](c7cc([C@H]3CC)c(cc7OC)OCCOCCOCCOCCOc6cc5OC)CC)CC)cc(c(OC)c4)[C@H]2CC)OC.[Na+].[P](F)(F)(F)(F)(F)[F-].C(=O)(C)C.C(=O)(C)C.c12cc3c(cc1OCCOCCOCCOCCOc4c([C@@H](c5cc6[C@@H](c7cc([C@@H]3CC)c(cc7OC)OCCOCCOCCOCCOc6cc5OC)CC)CC)cc(c(OC)c4)[C@@H]2CC)OC.[Na+].[P](F)(F)(F)(F)(F)[F-].C(=O)(C)C.C(=O)(C)C |
Title of publication | Novel tetramethoxy resorcinarene bis-crown ethers. |
Authors of publication | Salorinne, Kirsi; Nissinen, Maija |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 24 |
Pages of publication | 5473 - 5476 |
a | 33.394 ± 0.001 Å |
b | 15.559 ± 0.001 Å |
c | 24.951 ± 0.001 Å |
α | 90° |
β | 101.11 ± 0.01° |
γ | 90° |
Cell volume | 12721 ± 1.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0969 |
Residual factor for significantly intense reflections | 0.0669 |
Weighted residual factors for significantly intense reflections | 0.1592 |
Weighted residual factors for all reflections included in the refinement | 0.1808 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/1506268.html
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Users of the data should acknowledge the original authors of the
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