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 ⇅
12685 2310116 C2 H6 O6 P 1 21/c 1 14 Statistical analysis of multipole-model-derived structural parameters and charge-density properties from high-resolution X-ray diffraction experiments Acta Crystallographica Section A, 2014, vol: 70, page: 72
36578 2016789 C6 H18 Cl2 N2 P 1 21/c 1 14 Hydrogen-bonding motifs and thermotropic polymorphism in redetermined halide salts of hexamethylenediamine Acta Crystallographica Section C, 2008, vol: 64, page: o537
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
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
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
30583 2206308 C14 H10 N2 P 1 21/a 1 14 4-(2-Naphthyl)pyrimidine Acta Crystallographica Section E, 2005, vol: 61, page: o2256
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
31771 4508718 C5 H5 Br N2 P 1 21 1 4 Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules Crystal Growth & Design, 2006, vol: 6, page: 1278
27297 2004277 C16 H21 N O4 P 1 21 1 4 Structural Investigation of Dihydrooxazinones Acta Crystallographica Section C, 1995, vol: 51, page: 2587
27373 4101841 C22 H20 O2 P 1 21 1 4 Nickel/Bis(oxazoline)-Catalyzed Asymmetric Kumada Reactions of Alkyl Electrophiles: Cross-Couplings of Racemic \a-Bromoketones Journal of the American Chemical Society, 2010, vol: 132, page: 1264

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