100 results (register for free to see all 40935 materials)
ID (OMDB) ⇅ | ID (COD) ⇅ | Formula ⇅ | Space group H-M ⇅ | Space group IT ↑ | Publication details | Publisher ⇅ |
---|---|---|---|---|---|---|
33458 | 2217503 | C14 H7 N3 O3 | P 1 21/n 1 | 14 | 3-(2-Nitrophenoxy)phthalonitrile | Acta Crystallographica Section E, 2008, vol: 64, page: o356 |
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 |
36106 | 4505088 | C9 H11 Na O6 | P 1 21/n 1 | 14 | Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate | Crystal Growth & Design, 2005, vol: 5, page: 1271 |
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 |
16811 | 4116822 | C6 H3 F3 | I 1 2/a 1 | 15 | C-H...F Interactions in the Crystal Structures of Some Fluorobenzenes | Journal of the American Chemical Society, 1998, vol: 120, page: 8702 |
32466 | 2223676 | C6 H10 N4 O6 | C 1 2/c 1 | 15 | 1,3-Phenylenediammonium dinitrate | Acta Crystallographica Section E, 2009, vol: 65, page: o2601 |
18721 | 7205237 | C H3 N5 | P 21 21 21 | 19 | Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior | CrystEngComm, 2011, vol: 13, page: 99 |
26570 | 7111221 | C8 H10 O2 S | P 21 21 21 | 19 | Enzyme-catalysed oxygenation and deoxygenation routes to chiral thiosulfinates | Chemical Communications, 2002, page: 1452 |
32658 | 2226213 | C6 H11 F O5 | P 21 21 21 | 19 | 6-Deoxy-6-fluoro-D-galactose | Acta Crystallographica Section E, 2010, vol: 66, page: o1315 |
34367 | 4100438 | C11 H12 O4 | P 21 21 21 | 19 | Journal of the American Chemical Society, 2005 |

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: