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1,2,4-Triphenyl-but-3-yne-1,2-diol

Sample Originator: D.W. Knighta.

Data Collection: Simon J. Colesb

Structure Determination: Michael B. Hursthouseb and Simon J. Colesb.

Cardiff Universitya
University of Southamptonb

C22H18O2

InChI=1/C22H18O2/c23-21(19-12-6-2-7-13-19)22(24,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,21,23-24H/t21-,22+/m0/s1

Identification Number:10.5258/ecrystals/296
Date Created:16 March 2007
Deposited On:21 Jan 2008 15:30
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC22 H18 O2
Crystal morphologyPrism
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a15.5139(3)
Cell length b5.63200(10)
Cell length c18.7366(4)
Cell angle alpha90.00
Cell angle beta93.0380(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0483
R Factor (Obs)0.0598
R Factor (All)0.0879
Weighted R Factor (Obs)0.1408
Weighted R Factor (All)0.1548

Citation: Knight, D.W. and Coles, Simon J. and Hursthouse, Michael B. and Coles, Simon J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/296)
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