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
3480 1504241 C23 H28 O3 S P 1 21 1 4 Stereocontrolled generation of the (2R) chroman core of vitamin E: total synthesis of (2R,4'RS,8'RS)-alpha-tocopherol. Organic letters, 2009, vol: 11, page: 4930
3510 1518655 C13 H10 N2 O2 S P 1 21/c 1 14 Cobalt-Catalyzed C-H Cyanation of (Hetero)arenes and 6-Arylpurines with N-Cyanosuccinimide as a New Cyanating Agent. Organic letters, 2015, vol: 17, page: 660
3816 1542992 C19 H18 N2 O7 P -1 2 Stereocontrolled (Me3Si)3SiH-Mediated Radical and Ionic Hydride Transfer in Synthesis of 2,3,5-Trisubstituted THF. Organic letters, 2016, vol: 18, page: 1542
3924 1508656 C15 H19 N3 O2 P 1 21 1 4 Site-selective hydrogen-bonding-induced fluorescence quenching of highly solvatofluorochromic GFP-like chromophores. Organic letters, 2012, vol: 14, page: 5034
4031 1508794 C25 H22 N2 O2 P -1 2 An organic molecule modulated chemoselective cyclization of alkynyl nitriles tethered to 2-alkyl substituted chromones with multireactive sites. Organic letters, 2012, vol: 14, page: 6122
4317 7150790 C23 H20 N2 O5 P 1 21 1 4 Topically resolved intramolecular CH-\p interactions in phenylalanine derivatives Organic & Biomolecular Chemistry, 2009, vol: 7, page: 5156
4716 7151889 C12 H10 N4 P 1 21/c 1 14 N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides Organic & Biomolecular Chemistry, 2011, vol: 9, page: 4671
5166 7150363 C8 H6 F6 N2 O P 1 21/c 1 14 1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes. Organic & biomolecular chemistry, 2004, vol: 2, page: 1227
11883 2012171 C9 H9 I3 P -1 2 1,3,5-Triiodo-2,4,6-trimethylbenzene at 293K Acta Crystallographica Section C, 2001, vol: 57, page: 1106
12590 2235621 C16 H16 N2 O4 P -1 2 Butane-1,4-diyl bis(pyridine-3-carboxylate) Acta Crystallographica Section E, 2012, vol: 68, page: o2007

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