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Information card for entry 1505907
Preview
Coordinates | 1505907.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H32 Cl2 Hg N4 O12 S2 |
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Calculated formula | C32 H32 Cl2 Hg N4 O12 S2 |
SMILES | [Hg]12([S]3Cc4c(OCCOc5c(C[S]1CC[N]2(CC3)c1ccc(N=Nc2ccc(N(=O)=O)cc2)cc1)cccc5)cccc4)OCl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-] |
Title of publication | A chromogenic macrocycle exhibiting cation-selective and anion-controlled color change: an approach to understanding structure-color relationships. |
Authors of publication | Lee, Soo Jin; Jung, Jong Hwa; Seo, Joobeom; Yoon, Il; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 8 |
Pages of publication | 1641 - 1643 |
a | 22.88 ± 0.005 Å |
b | 25.666 ± 0.006 Å |
c | 14.578 ± 0.003 Å |
α | 90° |
β | 123.552 ± 0.005° |
γ | 90° |
Cell volume | 7134 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.2073 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1254 |
Weighted residual factors for all reflections included in the refinement | 0.1982 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
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/1505907.html
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