BACKGROUND Structural distortions due to hyperconjugation in organic molecules, like norbornenes, are well captured through X-ray crystallographic data, but are sometimes difficult to visualize especially for those applying chemical knowledge and are not chemists. METHODS Crystal structure from the Cambridge database were downloaded and converted to .stl format. The structures were then printed at the desired scale using a 3D printer. RESULTS Replicas of the crystal structures were accurately reproduced in scale and any resulting distortions were clearly visible from the macroscale models. Through space interactions or effect of through space hyperconjugation was illustrated through loss of symmetry or distortions thereof. CONCLUSION The norbornene structures exhibits distortion that cannot be observed through conventional ball and stick modelling kits. We show that 3D printed models derived from crystallographic data capture even subtle distortions in molecules. We translate such crystallographic data into scaled-up models through 3D printing.

中文翻译：

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通过晶体结构的 3D 打印实现超共轭和后续结构畸变的可视化

背景技术由于有机分子（如降冰片烯）中的超共轭引起的结构变形可以通过 X 射线晶体学数据很好地捕捉到，但有时难以可视化，尤其是对于那些应用化学知识且不是化学家的人。方法 下载剑桥数据库中的晶体结构并将其转换为 .stl 格式。然后使用 3D 打印机以所需的比例打印结构。结果 晶体结构的复制品按比例准确再现，任何由此产生的扭曲都可以从宏观模型中清晰可见。通过空间相互作用或通过空间超共轭的影响通过对称性的丧失或扭曲来说明。结论 降冰片烯结构表现出通过传统球棒建模套件无法观察到的变形。我们表明，源自晶体学数据的 3D 打印模型甚至可以捕获分子中的细微变形。我们通过 3D 打印将这些晶体学数据转化为放大模型。