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 ⇅
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
26613 1508212 C26 H16 P -1 2 The synthesis, crystal structure and charge-transport properties of hexacene. Nature chemistry, 2012, vol: 4, page: 574
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
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
22475 2001686 C10 H16 N4 Se3 P 1 21 1 4 Structures of 2,3-diethyl-6,7-dihydro-5H-2a\l^4^-selena-2,3,4a,7a-tetraazacyclopent[cd]indene-1(2H),4(3H)-diselone and 1,4-bis(ethylimino)-5,6-dihydro-2,2a\l^4^,3-triselena-4a,6a-diazacyclopenta[cd]pentalene Acta Crystallographica Section C, 1993, vol: 49, page: 917
27297 2004277 C16 H21 N O4 P 1 21 1 4 Structural Investigation of Dihydrooxazinones Acta Crystallographica Section C, 1995, vol: 51, page: 2587
30556 2009647 C13 H9 F O2 P 21 21 21 Phenyl 3-fluorobenzoate Acta Crystallographica Section C, 1994, vol: 50, page: 592
36980 2010756 C11 H13 N O3 P 21 21 21 19 N-Acetyl-L-phenylalanine Acta Crystallographica Section C, 2000, vol: 56, page: e100

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