Correction to Experimental and Theoretical Charge Density Analysis

Aug 24, 2010 - and POV-Ray.41. Figure 5. Static deformation density maps of coumarin 314, experimental Orange form (upper left), theoretical Orange...
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Correction to Experimental and Theoretical Charge Density Analysis of Polymorphic Structures: The Case of Coumarin 314 Dye [Cryst. Growth Des. 2010, 10, 1516. DOI: 10.1021/ cg900649m]. Parthapratim Munshi, Christian Jelsch,* Venkatesha R. Hathwar, and Tayur N. Guru Row The published figure captions for Figures 1 and 5 are in error. The correct captions are as follows: Figure 1. ORTEP diagrams of coumarin 314, Orange form (up) and Yellow form (down), at 100 K with 50% ellipsoid probability. The diagrams are generated using ORTEP-III40 and POV-Ray.41 Figure 5. Static deformation density maps of coumarin 314, experimental Orange form (upper left), theoretical Orange form (upper right), experimental Yellow form (lower left) and theoretical Yellow form (lower right), drawn in the plane containing atoms O1, O11, and C2, origin at atom O1. Contour intervals are at (0.05 e A˚-3, positive and negative contours are in solid blue and broken red lines, respectively, and contour at zero level is shown as a broken yellow line. DOI: 10.1021/cg1009658 Published on Web 08/24/2010

2010, Vol. 10 4670–4670