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Figure 11
Hirshfield surfaces mapped with (a) dnorm ranging from −0.448 (red) to 1.47 (blue), (b) shape index, mapped from 1.0 (concave, red) through 0.0 (minimal surface) to +1.0 (convex, blue), (c) curvedness, mapped from −4.0 (flat, green) through 0.0 (unit sphere) to +0.4 (singular, blue), and (d) 2D fingerprint plots with de and di ranging from 0.6 to 2.8 Å.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
Volume 81| Part 11| November 2025| Pages 598-606
https://doi.org/10.1107/S205322962500823X
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