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Volumn , Issue 12, 2000, Pages 1372-1373

In situ observation of molecular swapping in a crystal by x-ray analysis

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EID: 0034355404     PISSN: 03667022     EISSN: None     Source Type: Journal    
DOI: 10.1246/cl.2000.1372     Document Type: Article
Times cited : (34)

References (24)
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    • note
    • 1(F) = 0.0462 for 6009 observed data (I > 2σ(I)), GOF= 1.014.
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    • note
    • o-Cl-HABI indicates 2,2′-di(o-chlorophenyl)-4,4′,5,5′-tetraphenyl biimidazole. Photolysis of a crystal of o-Cl-HABI produced radical pairs in 10% yields as reported in ref 6.
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    • note
    • 1(F) = 0.0741 for 4643 observed data (I > 2σ(I)), GOF = 1.031. Refinement: Photolysis of HABI produced three new molecular groups except the unreacted 1,2′-dimer (63.8(8)%); that is, lophyl radicals (13.9(2)%), 2,2′-dimer (13.9(2)%), and another unreacted 1,2′-dimer (22.3(5)%). The minor unreacted 1,2′-dimer was located close to the parent unreacted 1,2′-dimer. The parent 1,2′-dimer was treated as a rigid group that was modeled from the structural parameters in ref 12. The temperature parameters of the parent 1,2′-dimer were fixed. The phenyl groups of lophyl radicals and 2,2′-dimer were restrained due to severe overlaps with those of the parent 1,2′-dimer. The crystal structure of the minor 1,2′-dimer is omitted in Figure 1 for clarity.
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