Crystallography Open Database

Information card for entry 4023464

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Coordinates	4023464.cif
Original paper (by DOI)	HTML
External links	ChemSpider

Structure parameters

Formula	C54 H92 O26 P2 S2 Se2
Calculated formula	C56 H76 O24 P2 S2 Se2
SMILES	[Se]([Se]P(=S)(OC[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]2OC(O[C@@H]12)(C)C)(C)C)OC[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(C)(O2)C)(C)C)P(=S)(OC[C@H]1O[C@@H]2OC(O[C@@H]2[C@H]2OC(O[C@@H]12)(C)C)(C)C)OC[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(C)(C)O2)(C)C.CC(O)C.CC(O)C
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	11.893 ± 0.001 Å
b	11.893 ± 0.001 Å
c	43.492 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	5327.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71067 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4023464.cif
178413	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.	4023464.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4023464.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4023464.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.	4023464.cif
762	2009-06-20	cif/4/: Adding CIFs from the J-Org-Chem-2008 deposition.	4023464.cif