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 ⇅
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
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
486 4082164 C26 H32 B2 N2 P2 P -1 2 Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2--4) Organometallics, 2013, vol: 32, page: 7470
609 4060240 C20 H14 O10 W2 P -1 2 Organometallics, 2004
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
1608 4025408 C6 H8 F N O2 P 41 76 Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-\b-d-hexopyranoses Journal of Organic Chemistry, 2010, vol: 75, page: 3443
1750 4020934 C16 H16 Se4 P 1 21/c 1 14 Cyclic Tetra- and Hexaynes Containing 1,4-Donor-Substituted Butadiyne Units: Synthesis and Supramolecular Organization Journal of Organic Chemistry, 2004, vol: 69, page: 2945
2186 4021059 C13 H10 N4 O P 1 21/c 1 14 Cocyclotrimerization of 6-Alkynylpurines with \a,\w-Diynes as a Novel Approach to Biologically Active 6-Arylpurines Journal of Organic Chemistry, 2004, vol: 69, page: 9224
2962 4026314 C23 H24 O4 P -1 2 Synthesis of the Phenanthrene and Cyclohepta[a]naphthalene Skeletons via Gold(I)-Catalyzed Intramolecular Cyclization of Unactivated Cyclic 5-(2-Arylethyl)-1,3-dienes Journal of Organic Chemistry, 2011, vol: 76, page: 4027
3085 4025765 C11 H16 O5 P -1 2 Stereoselective \a,\a'-Annelation Reactions of 1,3-Dioxan-5-ones Journal of Organic Chemistry, 2010, vol: 75, page: 7461

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