Crystallography Open Database

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Searching journal of publication like 'Journal of Chemical Information and Modeling' volume of publication is 45

COD ID: 4001602
CIF file Formula: - C42.33 H52.67 Br Cl0.67 N O3 -
Comments: Melville, James L.; Lovelock, Kevin R. J.; Wilson, Claire; Allbutt, Bryan; Burke, Edmund K.; Lygo, Barry; Hirst, Jonathan D. Exploring Phase-Transfer Catalysis with Molecular Dynamics and 3D/4D Quantitative Structure−Selectivity Relationships Journal of Chemical Information and Modeling 45(4) (2005) 971
Space group: P 65
Cell volume: 18167.6
Cell parameters: 16.4176; 16.4176; 77.83; 90; 90; 120;  


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