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 ⇅
32522 7106864 C10 H13 N O P 1 21 1 4 An organogel formed from a cyclic b-aminoalcohol Chem.Commun., 2011, vol: 47, page: 10746
32542 7107007 C46 H40 N6 O4 P -1 2 Shape and size mimicry in the design of ternary molecular solids: towards a robust strategy for crystal engineering Chem.Commun., 2011, vol: 47, page: 12080
32658 2226213 C6 H11 F O5 P 21 21 21 19 6-Deoxy-6-fluoro-D-galactose Acta Crystallographica Section E, 2010, vol: 66, page: o1315
32702 2226811 C11 H10 Cl N P 1 21/c 1 14 4-Chloro-2,5-dimethylquinoline Acta Crystallographica Section E, 2010, vol: 66, page: o2020
33101 2017198 C11 H11 N3 O2 P 1 21/c 1 14 4-Aminopyridinium 4-aminobenzoate dihydrate and 4-aminopyridinium nicotinate Acta Crystallographica Section C, 2009, vol: 65, page: o361
33301 2224129 C10 H10 N4 O3 C 1 2 1 5 4-(2,3-Dihydroxybenzylideneamino)-3-methyl-1H-1,2,4-triazol-5(4H)-one Acta Crystallographica Section E, 2009, vol: 65, page: o3039
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
34367 4100438 C11 H12 O4 P 21 21 21 19 Journal of the American Chemical Society, 2005
34419 2200318 C18 H16 Cu N2 O4 P 1 21/a 1 14 Bisaquabis(8-hydroxyquinolinato-N,O)copper(II) Acta Crystallographica Section E, 2001, vol: 57, page: m251
34559 4118233 C9 H15 Br O2 P 21 21 21 19 Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds Journal of the American Chemical Society, 2012, vol: 134, page: 11128

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