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DC Field | Value | Language |
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dc.contributor.author | MacNicol, DD | - |
dc.date.accessioned | 2017-07-17T12:30:08Z | - |
dc.date.available | 2017-07-17T12:30:08Z | - |
dc.date.issued | 2017 | - |
dc.identifier.citation | Acta Crystallographica Section E | en_US |
dc.identifier.issn | 1600-5368 | - |
dc.identifier.uri | http://bura.brunel.ac.uk/handle/2438/14926 | - |
dc.description.abstract | The 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.iso | en | en_US |
dc.subject | crystal structure | en_US |
dc.subject | Equilenin | en_US |
dc.subject | Equilin | en_US |
dc.subject | estrone | en_US |
dc.subject | steroid | en_US |
dc.subject | conformation | en_US |
dc.subject | hydrogen bonding | en_US |
dc.title | Structure of Equilenin at 100 K: an estrone related steroid | en_US |
dc.type | Article | en_US |
dc.relation.isPartOf | Acta Crystallographica Section E | - |
pubs.publication-status | Accepted | - |
Appears in Collections: | Dept of Health Sciences Research Papers |
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