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Information card for entry 1504166
Preview
Coordinates | 1504166.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C392 H360 F48 N8 O48 P8 |
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Calculated formula | C384 H320 F36 N8 O46 P6 |
Title of publication | Complexation of a pentiptycene-based tweezer-like receptor with paraquat derivatives: ion-controlled binding and release of the guests. |
Authors of publication | Cao, Jing; Lu, Hai-Yan; You, Xiao-Jun; Zheng, Qi-Yu; Chen, Chuan-Feng |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 19 |
Pages of publication | 4446 - 4449 |
a | 16 ± 0.003 Å |
b | 24.7 ± 0.005 Å |
c | 24.3 ± 0.005 Å |
α | 90° |
β | 103.4 ± 0.03° |
γ | 90° |
Cell volume | 9342 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1706 |
Residual factor for significantly intense reflections | 0.1456 |
Weighted residual factors for significantly intense reflections | 0.3937 |
Weighted residual factors for all reflections included in the refinement | 0.4149 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.521 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1504166.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504166.cif |
39429 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504166 via cif-deposit CGI script. |
1504166.cif |
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Users of the data should acknowledge the original authors of the
structural data.