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 ⇅
24868 2014062 C12 H17 N S P 1 21 1 4 (R)-2,3,4,5-Tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine and rac-5-benzoyl-2,3,4,5-tetrahydro-2,2,4-trimethyl-1,5-benzothiazepine: chains built from N---H···S and C---H···\p(arene) hydrogen bonds Acta Crystallographica Section C, 2004, vol: 60, page: o346
20879 4085534 C30 H28 Cl2 N2 Zn P 1 21 1 4 Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents Organometallics, 2015, vol: 34, page: 2422
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
20218 2240794 C14 H9 Br4 N P 1 21 1 4 Crystal structure of 1,3,6,8-tetrabromo-9-ethyl-9H-carbazole Acta Crystallographica Section E, 2015, vol: 71, page: o373
30583 2206308 C14 H10 N2 P 1 21/a 1 14 4-(2-Naphthyl)pyrimidine Acta Crystallographica Section E, 2005, vol: 61, page: o2256
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
33101 2017198 C11 H11 N3 O2 P 1 21/c 1 14 4-Aminopyridinium 4-aminobenzoate dihydrate and 4-aminopyridinium nicotinate Acta Crystallographica Section C, 2009, vol: 65, page: o361
32702 2226811 C11 H10 Cl N P 1 21/c 1 14 4-Chloro-2,5-dimethylquinoline Acta Crystallographica Section E, 2010, vol: 66, page: o2020
13412 4023262 C15 H11 N3 O S P 1 21/c 1 14 A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR' Journal of Organic Chemistry, 2008, vol: 73, page: 1386
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

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