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(E)-5-Phenyl-pent-1-enyl-boronic acid

Sample Originator: David Sampsona.

Data Collection: Thomas Gelbricha

Structure Determination: Thomas Gelbricha.

University of Southamptona

C11 H15 B O2

InChI=1/C11H15BO2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-8,10,13-14H,2,5,9H2/b10-6+

Identification Number:10.5258/ecrystals/528
Date Created:14 April 2000
Deposited On:21 Jul 2008 07:51
Deposited By:Dr Thomas Gelbrich

Depositor Comments

Sample code 00SOT042

Data collection parameters

Chemical formulaC11 H15 B O2
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a7.5150(2)
Cell length b9.3921(2)
Cell length c30.7365(2)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature

Refinement results

Solution figure of merit
R Factor (Obs)0.0547
R Factor (All)0.1058
Weighted R Factor (Obs)0.1241
Weighted R Factor (All)0.1393

Citation: Gelbrich, Thomas and Sampson, David and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/528)
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Available Files

Final Result

00sot042.cif10k
00sot042.cml5k
s92.fcf95k

Validation

00sot042_checkcif.htm7k

Processing

00sot042.htm4k
s92.hkl387k

Other Files

00sot042_ellipsoid.gif16k
s92.ins6k

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