Please use this identifier to cite or link to this item: http://bura.brunel.ac.uk/handle/2438/14926
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dc.contributor.authorMacNicol, DD-
dc.date.accessioned2017-07-17T12:30:08Z-
dc.date.available2017-07-17T12:30:08Z-
dc.date.issued2017-
dc.identifier.citationActa Crystallographica Section Een_US
dc.identifier.issn1600-5368-
dc.identifier.urihttp://bura.brunel.ac.uk/handle/2438/14926-
dc.description.abstractThe structure of the estrone related steroid, Equilenin, C18H18O2 (systematic name 3-hydroxy-13-methyl-11,12,13,14,15,16-hexahydro-cyclopenta[a]phenanthren-17-one), has been determined at 100 K. The crystals are orthorhombic, P212121, and the absolute structure of the molecule in the crystal has been determined by resonant scattering [Flack parameter = 0.05 (4)]. The carbon atoms of the A and B rings, are coplanar with an r.m.s. deviation from planarity of 0.0104 A. The C ring has a sofa conformation while the D ring has an envelope conformation with the methine C atom as the flap. The keto oxygen and the methyl group are translated 0.78 A and 0.79 A, respectively, from the equivalent positions on 17β-estrone 3. In the crystal, molecules are linked by O—H・・・O hydrogen bonds forming 14 chains parallel to the c-axis direction.en_US
dc.language.isoenen_US
dc.subjectcrystal structureen_US
dc.subjectEquileninen_US
dc.subjectEquilinen_US
dc.subjectestroneen_US
dc.subjectsteroiden_US
dc.subjectconformationen_US
dc.subjecthydrogen bondingen_US
dc.titleStructure of Equilenin at 100 K: an estrone related steroiden_US
dc.typeArticleen_US
dc.relation.isPartOfActa Crystallographica Section E-
pubs.publication-statusAccepted-
Appears in Collections:Dept of Clinical Sciences Research Papers

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