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Information card for entry 7219278
Preview
Coordinates | 7219278.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H59 N6 O27 S4 |
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Calculated formula | C43 H59 N6 O27 S4 |
Title of publication | Solvent control in the formation of supramolecular host‒guest complexes of isoniazid with p-sulfonatocalix[4]arene |
Authors of publication | Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 8 |
Pages of publication | 1745 |
a | 20.2344 ± 0.0004 Å |
b | 15.2501 ± 0.0003 Å |
c | 17.8339 ± 0.0003 Å |
α | 90° |
β | 107.069 ± 0.002° |
γ | 90° |
Cell volume | 5260.72 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0842 |
Residual factor for significantly intense reflections | 0.0782 |
Weighted residual factors for significantly intense reflections | 0.2011 |
Weighted residual factors for all reflections included in the refinement | 0.2071 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180523 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92. |
7219278.cif |
133238 | 2015-03-06 | cif/ Updating files of 7219275, 7219276, 7219277, 7219278 Original log message: Adding full bibliography for 7219275--7219278.cif. |
7219278.cif |
129568 | 2015-01-13 | cif/ Adding structures of 7219275, 7219276, 7219277, 7219278 via cif-deposit CGI script. |
7219278.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.