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DC Field | Value | Language |
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dc.contributor.author | Frampton, CS | - |
dc.contributor.author | Zhang, T | - |
dc.contributor.author | Scalabrino, GA | - |
dc.contributor.author | Frankish, N | - |
dc.contributor.author | Sheridan, H | - |
dc.date.accessioned | 2014-04-28T10:17:57Z | - |
dc.date.available | 2014-04-28T10:17:57Z | - |
dc.date.issued | 2012 | - |
dc.identifier.citation | Acta Crystallographica Section C: Crystal Structure Communications, 68(8), 2012 | en_US |
dc.identifier.issn | 0108-2701 | - |
dc.identifier.uri | http://scripts.iucr.org/cgi-bin/paper?S0108270112031265 | en |
dc.identifier.uri | http://bura.brunel.ac.uk/handle/2438/8347 | - |
dc.description | Copyright 2012 © International Union of Crystallography. | en_US |
dc.description.abstract | The title molecular salt, C8H12N+·C26H21O3-, contains a dimeric indane pharmacophore that demonstrates potent anti-inflammatory activity. The indane group of the anion exhibits some disorder about the [alpha]-C atom, which appears common to many structures containing this group. A model to account for the slight disorder was attempted, but this was deemed unsuccessful because applying bond-length constraints to all the bonds about the [alpha]-C atom led to instability in the refinement. The absolute configuration was determined crystallographically as S,S,S by anomalous dispersion methods with reference to both the Flack parameter and Bayesian statistics on Bijvoet differences. The configuration was also determined by an a priori knowledge of the absolute configuration of the (1S)-1-phenylethanaminium counter-ion. The molecules pack in the crystal structure to form an infinite two-dimensional hydrogen-bond network in the (100) plane of the unit cell. | en_US |
dc.language.iso | en | en_US |
dc.publisher | International Union of Crystallography | en_US |
dc.title | (1S)-1-phenylethanaminium 4-{[(1S,2S)-1-hydroxy-2,3-dihydro-1H,1'H-[2,2'-biinden]-2-yl]methyl}benzoate | en_US |
dc.type | Article | en_US |
dc.identifier.doi | http://dx.doi.org/10.1107/S0108270112031265 | - |
pubs.organisational-data | /Brunel | - |
pubs.organisational-data | /Brunel/Administration and Support Staff | - |
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pubs.organisational-data | /Brunel/Brunel Active Staff | - |
pubs.organisational-data | /Brunel/Brunel Active Staff/Wolfson Centre | - |
pubs.organisational-data | /Brunel/Brunel Active Staff/Wolfson Centre/Wolfson | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups/Brunel Business School - URCs and Groups | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups/Brunel Business School - URCs and Groups/Centre for Research into Entrepreneurship, International Business and Innovation in Emerging Markets | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups/School of Arts - URCs and Groups | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups/School of Arts - URCs and Groups/Brunel Centre for Contemporary Writing | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups/School of Health Sciences and Social Care - URCs and Groups | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups/School of Health Sciences and Social Care - URCs and Groups/Brunel Institute for Ageing Studies | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups/School of Health Sciences and Social Care - URCs and Groups/Brunel Institute of Cancer Genetics and Pharmacogenomics | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups/School of Health Sciences and Social Care - URCs and Groups/Centre for Systems and Synthetic Biology | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups/School of Information Systems, Computing and Mathematics - URCs and Groups | - |
pubs.organisational-data | /Brunel/University Research Centres and Groups/School of Information Systems, Computing and Mathematics - URCs and Groups/Multidisclipary Assessment of Technology Centre for Healthcare (MATCH) | - |
Appears in Collections: | Dept of Mechanical and Aerospace Engineering Research Papers |
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