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Information card for entry 4023465
Preview
Coordinates | 4023465.cif |
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Original paper (by DOI) | HTML |
Formula | C62 H92 O24 P2 S2.79 Se1.22 |
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Calculated formula | C62 H92 O24 P2 S2.792 Se1.208 |
Title of publication | Synthesis and Solid-State Study of Supramolecular Host-Guest Assemblies: Bis[6-O,6-O'-(1,2:3,4-diisopropylidene-α-D- galactopyranosyl)thiophosphoryl] Dichalcogenides |
Authors of publication | Marek J. Potrzebowski; Wojciech M. Potrzebowski; Agata Jeziorna; Wlodzimierz Ciesielski; Jarosław Gajda; Grzegorz D. Bujacz; Maksymilian Chruszcz; Wladek Minor |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2008 |
Journal volume | 73 |
Pages of publication | 4388 - 4397 |
a | 29.875 ± 0.001 Å |
b | 10.4 ± 0.001 Å |
c | 11.628 ± 0.001 Å |
α | 90° |
β | 93.891 ± 0.001° |
γ | 90° |
Cell volume | 3604.5 ± 0.5 Å3 |
Cell temperature | 103 ± 1 K |
Ambient diffraction temperature | 103 ± 1 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0597 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0941 |
Weighted residual factors for all reflections included in the refinement | 0.1015 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
Method of determination | single crystal |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71074 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~2,3~ |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178413 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/34. |
4023465.cif |
120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4023465.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4023465.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4023465.cif |
762 | 2009-06-20 | cif/4/: Adding CIFs from the J-Org-Chem-2008 deposition. |
4023465.cif |
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