dc.contributor.author | Celik, Ismail | |
dc.contributor.author | Ersanli, Cem Cuneyt | |
dc.contributor.author | Koseoglu, Rahmi | |
dc.contributor.author | Aksit, Huseyin | |
dc.contributor.author | Erenler, Ramazan | |
dc.contributor.author | Demirtas, Ibrahim | |
dc.contributor.author | Akkurt, Mehmet | |
dc.date.accessioned | 2019-07-27T12:10:23Z | |
dc.date.accessioned | 2019-07-28T09:44:42Z | |
dc.date.available | 2019-07-27T12:10:23Z | |
dc.date.available | 2019-07-28T09:44:42Z | |
dc.date.issued | 2016 | |
dc.identifier.issn | 2056-9890 | |
dc.identifier.uri | https://dx.doi.org/10.1107/S2056989016013864 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12418/7149 | |
dc.description | WOS: 000385460500006 | en_US |
dc.description | PubMed ID: 27746923 | en_US |
dc.description.abstract | The asymmetric unit of the title compound, C20H34O2, contains two crystallographically independent molecules (1 and 2) with similar conformations. In both molecules, the cyclohexane rings adopt a chair conformation, while the oxane rings are also puckered. In the crystal, O-H center dot center dot center dot O hydrogen bonds connect adjacent molecules, forming C(6) helical chains located around a 21 screw axis and running along the crystallographic a axis. The packing of these chains is governed only by van der Waals interactions. Semi-empirical PM3 quantum chemical calculations are in a satisfactory agreement with the structural results of the X-ray structure analysis. The absolute structure was indeterminate in the present experiment. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | INT UNION CRYSTALLOGRAPHY | en_US |
dc.relation.isversionof | 10.1107/S2056989016013864 | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | crystal structure | en_US |
dc.subject | cyclohexane ring | en_US |
dc.subject | semi-empirical PM3 method | en_US |
dc.subject | HOMO | en_US |
dc.subject | LUMO | en_US |
dc.title | Crystal structure of 3,4a, 7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromen-9-ol isolated from Sideritis perfoliata | en_US |
dc.type | article | en_US |
dc.relation.journal | ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | en_US |
dc.contributor.department | [Celik, Ismail] Cumhuriyet Univ, Fac Sci, Dept Phys, TR-58140 Sivas, Turkey -- [Ersanli, Cem Cuneyt] Sinop Univ, Fac Arts & Sci, Dept Phys, TR-57010 Sinop, Turkey -- [Koseoglu, Rahmi -- Akkurt, Mehmet] Erciyes Univ, Fac Sci, Dept Phys, TR-38039 Kayseri, Turkey -- [Aksit, Huseyin -- Erenler, Ramazan] Gaziosmanpasa Univ, Fac Arts & Sci, Dept Chem, TR-60240 Tokat, Turkey -- [Demirtas, Ibrahim] Cankiri Karatekin Univ, Fac Nat Sci, Dept Chem, TR-18100 Cankiri, Turkey | en_US |
dc.contributor.authorID | Hokelek, Tuncer -- 0000-0002-8602-4382; demirtas, ibrahim -- 0000-0001-8946-647X; Erenler, Ramazan -- 0000-0002-0505-3190 | en_US |
dc.identifier.volume | 72 | en_US |
dc.identifier.endpage | + | en_US |
dc.identifier.startpage | 1380 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |