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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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
1502888.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1502888.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502888.cif |
| 36840 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502888 via cif-deposit CGI script. |
1502888.cif |
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