You are not logged in, therefore you can only see 100 materials. Registration is free and unlocks all 40948 materials: Register or Log in

100 results (register for free to see all 40948 materials)

ID (OMDB) ⇅ ID (COD) ⇅ Formula ↓ Space group H-M ⇅ Space group IT ⇅ Publication details Publisher ⇅
33458 2217503 C14 H7 N3 O3 P 1 21/n 1 14 3-(2-Nitrophenoxy)phthalonitrile Acta Crystallographica Section E, 2008, vol: 64, page: o356
32197 7102561 C14 H29 N3 Si P -1 2 Titanium complexes with imidazolin-2-iminato ligands. Chemical communications (Cambridge, England), 2004, page: 876
27506 2202134 C14 H28 Br2 P 1 21/n 1 14 1,14-Dibromotetradecane Acta Crystallographica Section E, 2003, vol: 59, page: o708
1459 4029451 C14 H23 N O5 P 1 21 1 4 Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of \b-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium. The Journal of organic chemistry, 2014, vol: 79, page: 5287
14418 4028145 C14 H12 N2 O3 P 1 21/c 1 14 Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides Journal of Organic Chemistry, 2013, vol: 78, page: 3676
30583 2206308 C14 H10 N2 P 1 21/a 1 14 4-(2-Naphthyl)pyrimidine Acta Crystallographica Section E, 2005, vol: 61, page: o2256
30556 2009647 C13 H9 F O2 P 21 21 21 Phenyl 3-fluorobenzoate Acta Crystallographica Section C, 1994, vol: 50, page: 592
24447 2011802 C13 H14 O5 P 1 21 1 4 Three 1,6-anhydro-\b-D-glycopyranose derivatives Acta Crystallographica Section C, 2001, vol: 57, page: 298
19941 2215126 C13 H14 O S P -1 2 3-Butyl-1H-isochromene-1-thione Acta Crystallographica Section E, 2007, vol: 63, page: o3708
24877 2202495 C13 H14 N4 O5 P -1 2 4-Dimethylaminopyridinium 2,4-dinitrophenolate: supramolecular aggregation through N---H···O, C---H···O, C---H···\p and \p--\p interactions Acta Crystallographica Section E, 2003, vol: 59, page: o1383

Is your relevant material missing?

  • We can share our experience running high-throughput calculations based on density functional theory.
  • Alternatively, our machine learning models trained on our large database can predict relevant material properties.

Feel free to contact us if you are interested in a partnership so that we can provide computationally relevant results.
Please email us at:

diracmaterials@gmail.com