3D ED raw data for "When Reality Defies Prediction: Polymorphism, Twinning, and Accordion Crystals"

3D ED data for the crystal structure in the title publication (https://www.doi.org/10.1021/jacs.5c22213). Data were collected using continuous rotation in selected area mode. The table below summarizes generic data collection parameters for the data collection. Collection site University of Southampton, NCS/NEDF Sample label(s) 2024NCS0773 Crystal structure deposit CSD 2465455 Instrumental Instrument Rigaku XtaLAB Synergy-ED, electron diffractometer Radiation source LaB6 Accelerating voltage [kV] 200 Wavelength [Å] 0.0251 Probe type Parallel beam (SAED) Beam convergence Parallel beam Detector Rigaku HyPix-ED, hybrid pixel array detector Number of pixels in the image 775 x 385 Pixel size [µm] 100 Hardware binning 1 Sample description Name DBS-CONHNH2 Chemical composition C22H27N4O8.5 Sample source Synthesis Grid laceycarbon coated copper grid, 200 mesh (Agar Scientific) Sample preparation Sample ground between glass slides, grid dabbed, cryo transfer @ 175 K Sample holder GATAN Elsa cryo-transfer holder 698 Experimental Data type Electron diffraction data - 3D ED Data collection method Continuous rotation - cRED Collection temperature [K] 175 Software Software used for the data collection CrysAlisPro 1.171.44.78a Software used for processing CrysAlisPro 1.171.44.79a Files and data formats Image folders ./frames/xxx.rodhypix./frames/TIFF/xxx.tiff Image format .rodhypix.tiff (converted with CrysAlisPro) Additional files CrysAlisPro files: ./expinfo/./expinfo/exp_XXXX_datacoll.ini ./plots_dc.plots_dc/exp_XXX_hypix.dat.plots_dc/exp_XXX_Jeol_MicroED.dat.plots_dc/exp_XXX_primarybeam.dat.plots_dc/exp_XXX_primarybeam_0.jpg ./CrysalisExpSettings.ini./exp_XXX.par./exp_XXX.run./new.ccd Grain snapshots files: ./exp_XXXX_microed_grain_snapshot.rodhypix./exp_XXXX_microed_grain_snapshot.tiff