This report describes an activity that helps organic chemistry students to better understand organic molecules as 3-dimensional objects. To accomplish this goal, the activity employs a unique three-way combination of analyzing computer-generated 3-dimensional renditions of open access X-ray crystallography data, building physical 3-dimensional representations of molecules using model kits, and connecting the details of these3-dimentional structures to melting-point data that the students collect. The approach emphasizes discovery, data analysis, and the scientific method. In addition to strengthening foundational skills of working with 3-dimensional structures, the activity also foreshadows a number of higher-complexity concepts in molecular geometry. The activity is flexible in term of different ways in which it can be incorporated into organic chemistry courses, and students gave highly positive feedback about many of its attributes.