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 ↓
25517 8103379 C20 H17 N O P 1 21 1 4 Crystal structure of 2-((benzhydrylimino)methyl)phenol, C20H17NO Zeitschrift f\"ur Kristallographie - New Crystal Structures, 2012, vol: 227, page: 249
18948 8100468 C4 H2 S5 P n m a 62 Crystal structure of 4,5-methylenedithio-1,3-dithiol-2-thione, C~4~H~2~S~5~ Zeitschrift f\"ur Kristallographie - New Crystal Structures, 2003, vol: 218, page: 543
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
14981 4031912 C27 H28 O6 P -1 2 Iron-Catalyzed Tandem Conia-Ene/Friedel-Crafts Reactions of o-Alkynyldihydrochalcones: Access to Benzo[b]fluorenes. The Journal of organic chemistry, 2016, vol: 81, page: 1229
171 4070529 C5 H5 Br3 Zr P -1 2 Isolation and Characterization of Bromination Products of Zr(C5H5)2Br2 Organometallics, 2008, vol: 27, page: 327
20879 4085534 C30 H28 Cl2 N2 Zn P 1 21 1 4 Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents Organometallics, 2015, vol: 34, page: 2422
20657 4066538 C24 H34 N2 O4 S2 P -1 2 Ligand Variations in New Sulfonamide-Supported Group 4 Ring-Opening Polymerization Catalysts Organometallics, 2010, vol: 29, page: 4171
36532 4064554 C10 H15 Bi Br2 P 21 21 21 19 Molecular Assemblies Based on Cp*BiX2Units (X = Cl, Br, I): An Experimental and Computational Study Organometallics, 2011, vol: 30, page: 2844
86 4084729 C25 H25 Cl N2 Ru P -1 2 Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes Organometallics, 2014, vol: 33, page: 5164
609 4060240 C20 H14 O10 W2 P -1 2 Organometallics, 2004

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