Crystallography Open Database
Search results
Result: there are 6132 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching space group like 'P n a 21'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2238987 | CIF HKL Paper | C8 H6 F N O2 | P n a 21 | 16.0965; 4.8453; 9.5538 90; 90; 90 | 745.12 | Sreenivasa, S.; Nanjundaswamy, M. S.; Manojkumar, K. E.; Madankumar, S.; Lokanath, N. K.; Suchetan, P. A. 1-Fluoro-4-[(<i>E</i>)-2-nitrovinyl]benzene Acta Crystallographica Section E, 2014, 70, o124 |
| 2239089 | CIF HKL | C13 H17 Cl2 N3 Zn | P n a 21 | 23.6403; 7.5682; 8.0329 90; 90; 90 | 1437.2 | Al-Sudani, Abdul-Razak H. Dichlorido{8-[2-(dimethylamino)ethylamino]quinoline-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}zinc Acta Crystallographica Section E, 2014, 70, m1 |
| 2239142 | CIF HKL Paper | C3 H8 Mg O7 | P n a 21 | 19.8109; 5.9314; 6.092 90; 90; 90 | 715.85 | de Klijn, Tim; Lutz, Martin <i>catena</i>-Poly[[triaquamagnesium]-μ~2~-malonato] Acta Crystallographica Section E, 2014, 70, m25-m26 |
| 2239193 | CIF HKL Paper | C12 H16 Cl4 | P n a 21 | 10.948; 11.8207; 10.5027 90; 90; 90 | 1359.19 | Turdybekov, Koblandy M.; Ryazantsev, Oleg G.; Atazhanova, Gayane A.; Adekenov, Sergazy M. (1<i>S</i>*,3<i>R</i>*,5<i>S</i>*,7<i>S</i>*)-4,4,8,8-Tetrachloro-1-isopropyl-5-methyltricyclo[5.1.0.0^3,5^]octane Acta Crystallographica Section E, 2014, 70, o417 |
| 2239198 | CIF HKL | C43 H32 Br3 N3 O6 | P n a 21 | 9.2879; 39.273; 10.5592 90; 90; 90 | 3851.61 | Koch, Niklas; Seichter, Wilhelm; Mazik, Monika 2-{2,4,6-Tris(bromomethyl)-3,5-bis[(1,3-dioxoisoindolin-2-yl)methyl]benzyl}isoindoline-1,3-dione toluene monosolvate Acta Crystallographica Section E, 2014, 70, o393-o394 |
| 2239227 | CIF HKL Paper | C21 H22 O3 S | P n a 21 | 18.2293; 6.1955; 15.9471 90; 90; 90 | 1801.06 | Choi, Hong Dae; Seo, Pil Ja; Lee, Uk 5-Cyclopentyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran Acta Crystallographica Section E, 2014, 70, o481 |
| 2239322 | CIF HKL Paper | C27 H29 N3 O2 | P n a 21 | 12.7717; 16.2765; 11.4109 90; 90; 90 | 2372.1 | Vinuchakkaravarthy, T.; Sivakumar, R.; Srinivasan, T.; Thanikachalam, V.; Velmurugan, D. (<i>E</i>)-3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-one <i>O</i>-nicotinoyl oxime Acta Crystallographica Section E, 2014, 70, o551 |
| 2239456 | CIF HKL | C12 H10 N2 O3 | P n a 21 | 9.5934; 11.1939; 10.3332 90; 90; 90 | 1109.66 | Datta, Riya; Ramya, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra <i>N</i>'-[(<i>E</i>)-Furan-2-ylmethylidene]-4-hydroxybenzohydrazide Acta Crystallographica Section E, 2014, 70, o242 |
| 2239462 | CIF HKL Paper | C21 H20 N2 O2 S | P n a 21 | 15.061; 21.992; 5.437 90; 90; 90 | 1800.9 | Lai, Hongshan; Gallucci, Judith C.; Li, Chenglong <i>N</i>-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-(methylsulfonyl)aniline Acta Crystallographica Section E, 2014, 70, o332 |
| 2239463 | CIF HKL Paper | C18 H16 N4 O S | P n a 21 | 34.5438; 6.0102; 15.6138 90; 90; 90 | 3241.7 | Sebbar, Nada Kheira; El Fal, Mohammed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 4-[(1-Benzyl-1,2,3-triazol-5-yl)methyl]-2<i>H</i>-1,4-benzothiazin-3(4<i>H</i>)-one Acta Crystallographica Section E, 2014, 70, o363-o364 |
| 2239470 | CIF HKL | C7 H4 Cu N2 O7 | P n a 21 | 7.4665; 17.7858; 6.6821 90; 90; 90 | 887.37 | Sinha, B.; Dey, G. C.; Sarkar, B.; Roy, A.; Ng, Seik Weng; Tiekink, Edward R. T. Poly[(μ~3~-3,5-dinitrobenzoato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~2~-hydroxido-κ^2^<i>O</i>:<i>O</i>)copper(II)] Acta Crystallographica Section E, 2014, 70, m112-m113 |
| 2239671 | CIF HKL Paper | C18 H17 F O2 S | P n a 21 | 7.8869; 11.0042; 17.5181 90; 90; 90 | 1520.38 | Choi, Hong Dae; Seo, Pil Ja; Lee, Uk 3-(4-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran Acta Crystallographica Section E, 2014, 70, o830 |
| 2239723 | CIF HKL Paper | C14 H18 Fe N4 | P n a 21 | 9.2647; 12.926; 22.0729 90; 90; 90 | 2643.35 | Shikhaliyev, Namig G.; Gurbanov, Atash V.; Muzalevsky, Vasily M.; Nenajdenko, Valentine G.; Khrustalev, Victor N. 1,1-Diacetylferrocene dihydrazone Acta Crystallographica Section E, 2014, 70, m286-m287 |
| 2239744 | CIF HKL Paper | H4 N O7 Te V2 | P n a 21 | 18.945; 7.0277; 5.4402 90; 90; 90 | 724.31 | Harrison, William T. A.; Johnston, Magnus G. Crystal structure of ammonium divanadium(IV,V) tellurium(IV) heptaoxide Acta Crystallographica Section E, 2014, 70, 27-30 |
| 2239760 | CIF HKL Paper | C21 H18 N2 O4 | P n a 21 | 12.7332; 14.2777; 19.003 90; 90; 90 | 3454.8 | Chouguiat, Louisa; Boulcina, Raouf; Bouacida, Sofiane; Merazig, Hocine; Debache, Abdelmadjid 4-(2-Nitrobenzyl)-3-phenyl-3,4-dihydro-2<i>H</i>-1,4-benzoxazin-2-ol Acta Crystallographica Section E, 2014, 70, o863-o864 |
| 2239774 | CIF HKL | C11 H15 N3 O2 S | P n a 21 | 8.9962; 16.1159; 8.5491 90; 90; 90 | 1239.46 | de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Feitosa, Bárbara Regina Santos 4-Hydroxy-3-methoxybenzaldehyde 4-ethylthiosemicarbazone Acta Crystallographica Section E, 2014, 70, o868 |
| 2239841 | CIF HKL Paper | C12 H11 N O | P n a 21 | 7.4385; 14.3429; 9.2255 90; 90; 90 | 984.27 | Kim, Haneol; Kang, Sung Kwon Crystal structure of phenyl(pyridin-2-yl)methanol Acta Crystallographica Section E, 2014, 70, o947 |
| 2240025 | CIF HKL | C17 H19 Mo O3 P | P n a 21 | 16.374; 6.8898; 15.208 90; 90; 90 | 1715.7 | Whited, Matthew T.; Hofmeister, Gretchen E.; Hodges, Connor J.; Jensen, Laramie T.; Keyes, Samuel H.; Ngamnithiporn, Aurapat; Janzen, Daron E. Crystal structures of <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(dimethylphenylphosphane)molybdenum(II) and <i>trans</i>-acetyldicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)(ethyldiphenylphosphane)molybdenum(II) Acta Crystallographica Section E, 2014, 70, 216-220 |
| 2240079 | CIF HKL | C16 H14 O4 | P n a 21 | 7.686; 28.346; 6.297 90; 90; 90 | 1372 | Sathya, S.; Reuben Jonathan, D.; Prathebha, K.; Jovita, J.; Usha, G. Crystal structure of (2<i>E</i>)-1-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one Acta Crystallographica Section E, 2014, 70, o1158-o1159 |
| 2240132 | CIF HKL Paper | C17 H18 N2 O4 V | P n a 21 | 12.9597; 8.8616; 28.5426 90; 90; 90 | 3277.94 | Hsuan, Rachel E.; Hughes, Jemma E.; Miller, Thomas H.; Shaikh, Nabila; Cunningham, Phoebe H. M.; O'Connor, Alice E.; Tidey, Jeremiah P.; Blake, Alexander J. Crystal structure of {2,2'-[ethylenebis(nitrilomethanylylidene)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}oxidovanadium(IV) methanol monosolvate Acta Crystallographica Section E, 2014, 70, m380-m381 |
| 2240141 | CIF HKL Paper | C16 H16 Cl N3 S2 | P n a 21 | 24.2206; 8.2838; 8.3206 90; 90; 90 | 1669.43 | Low, May Lee; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T. Crystal structure of 2-{[2-(3-phenylallylidene)hydrazin-1-yl]thiocarbonylsulfanylmethyl}pyridinium chloride Acta Crystallographica Section E, 2014, 70, o1207-o1208 |
| 2240144 | CIF HKL Paper | C9 H7 Br O2 | P n a 21 | 12.123; 15.0901; 4.8763 90; 90; 90 | 892.06 | Kim, Sung-Gon Crystal structure of (<i>E</i>)-3-(5-bromo-2-hydroxyphenyl)acrylaldehyde Acta Crystallographica Section E, 2014, 70, o1219-o1220 |
| 2240299 | CIF HKL | C12 H13 Mn N O5 | P n a 21 | 7.281; 15.148; 10.903 90; 90; 90 | 1202.5 | Jin, Lan; Zha, Li-Li; Gao, San; Yang, Shi-Yao; Huang, Rong-Bin Crystal structure of poly[(<i>N</i>,<i>N</i>-dimethylacetamide-κ<i>O</i>)(μ~4~-5-methylisophthalato-κ^5^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''')manganese(II)] Acta Crystallographica Section E, 2015, 71, m1-m2 |
| 2240350 | CIF HKL | C11 H11 N7 | P n a 21 | 14.465; 18.742; 4.323 90; 90; 90 | 1172 | Guino-o, Marites A.; Folstad, Matthew J.; Janzen, Daron E. Crystal structures of 2,6-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]pyridine and 1,1-[pyridine-2,6-diylbis(methylene)]bis(4-methyl-1<i>H</i>-1,2,4-triazol-4-ium) iodide triiodide Acta Crystallographica Section E, 2015, 71, 128-132 |
| 2240452 | CIF HKL | C21 H26 Cl2 N2 O2 | P n a 21 | 20.1594; 17.8088; 5.612 90; 90; 90 | 2014.8 | Rivera, Augusto; Nerio, Luz Stella; Bolte, Michael Crystal structure of the di-Mannich base 4,4'-dichloro-3,3',5,5'-tetramethyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol Acta Crystallographica Section E, 2015, 71, 312-314 |
| 2240521 | CIF HKL Paper | C15 H12 N2 O2 S | P n a 21 | 35.623; 3.8172; 18.6525 90; 90; 90 | 2536.4 | Hijji, Yousef; Barare, Belygona; Wairia, Gilbert; Butcher, Ray J.; Wikaira, Jan Crystal structure of (<i>E</i>)-2-{[(6-methoxy-1,3-benzothiazol-2-yl)imino]methyl}phenol Acta Crystallographica Section E, 2015, 71, 385-387 |
| 2240543 | CIF HKL | C9 H10 N2 S | P n a 21 | 9.6376; 10.1602; 8.9254 90; 90; 90 | 873.97 | El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M. Crystal structure of 2-(1-methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine Acta Crystallographica Section E, 2015, 71, o272-o273 |
| 2240554 | CIF HKL Paper | C6 H12 O6 | P n a 21 | 11.2629; 5.3552; 12.6538 90; 90; 90 | 763.21 | Ishii, Tomohiko; Sakane, Genta; Yoshihara, Akihide; Fukada, Kazuhiro; Senoo, Tatsuya Crystal structure of β-<small>D</small>,<small>L</small>-psicose Acta Crystallographica Section E, 2015, 71, o289-o290 |
| 2240628 | CIF HKL | C12 H30 Cl10 N4 O Sb2 | P n a 21 | 29.122; 8.4029; 11.358 90; 90; 90 | 2779.4 | Ben Rhaiem, Tarek; Boughzala, Habib Crystal structure of a new hybrid antimony‒halide-based compound for possible non-linear optical applications Acta Crystallographica Section E, 2015, 71, 498-501 |
| 2240679 | CIF HKL | C17 H17 N O3 | P n a 21 | 8.4873; 10.821; 16.232 90; 90; 90 | 1490.8 | Li, Zhengyi; Shi, Song; Zhou, Kun; Chen, Liang; Sun, Xiaoqiang Crystal structure of (<i>E</i>)-2-({[2-(1,3-dioxan-2-yl)phenyl]imino}methyl)phenol Acta Crystallographica Section E, 2015, 71, o357-o358 |
| 2240709 | CIF HKL Paper | C24 H20 Cl2 N2 O | P n a 21 | 12.1468; 8.4194; 20.9636 90; 90; 90 | 2143.92 | Akkurt, Mehmet; Jasinski, Jerry P.; Mohamed, Shaaban K.; Marzouk, Adel A.; Albayati, Mustafa R. Crystal structure of 1-[2-(2,6-dichlorophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]propan-2-ol Acta Crystallographica Section E, 2015, 71, o299-o300 |
| 2240875 | CIF HKL | C14 H11 N O7 | P n a 21 | 29.3465; 12.2113; 3.6206 90; 90; 90 | 1297.47 | Staun, Selena L.; Oliver, Allen G. Crystal structure of 4-hydroxypyridin-1-ium 3,5-dicarboxybenzoate Acta Crystallographica Section E, 2015, 71, 861-863 |
| 2241046 | CIF HKL Paper | C13 H10 N2 O7 S | P n a 21 | 14.7716; 12.6403; 7.6734 90; 90; 90 | 1432.8 | Cooley, Tyler A.; Riley, Sean; Biros, Shannon M.; Staples, Richard J.; Ngassa, Felix N. Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph Acta Crystallographica Section E, 2015, 71, 1085-1088 |
| 2241051 | CIF HKL Paper | C14 H30 Cl2 F6 Fe N4 P | P n a 21 | 26.002; 8.5752; 9.3829 90; 90; 90 | 2092.1 | Funwie, Neil L.; Cain, Amy N.; Fanning, Brian Z.; Hageman, Serena A.; Mullens, Malorie; Roberts, Travis K.; Turner, Daniel J.; Valdez, Cammi N.; Vaughan, Robert W.; Ermias, Henok G.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.; Prior, Timothy J. Crystal structure of dichlorido(4,11-dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane)iron(III) hexafluoridophosphate Acta Crystallographica Section E, 2015, 71, 1073-1076 |
| 2241145 | CIF HKL | C13 H14 F3 N O2 | P n a 21 | 16.1328; 6.8283; 23.017 90; 90; 90 | 2535.5 | Revathi, B. K.; Reuben Jonathan, D.; Kalai Sevi, K.; Dhanalakshmi, K.; Usha, G. Crystal structure of (4-hydroxypiperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone Acta Crystallographica Section E, 2015, 71, o790-o791 |
| 2241178 | CIF HKL Paper | C24 H21 N3 O9 | P n a 21 | 12.699; 26.498; 6.6591 90; 90; 90 | 2240.8 | Staun, Selena L.; Oliver, Allen G. Crystal structure of benzene-1,3,5-tricarboxylic acid‒4-pyridone (1/3) Acta Crystallographica Section E, 2015, 71, 1283-1286 |
| 2241192 | CIF HKL Paper | C21 H22 Cl2 N2 O | P n a 21 | 8.3293; 12.2924; 19.3226 90; 90; 90 | 1978.38 | Priya, K.; Saravanan, K.; Selvanayagam, S.; Kabilan, S. Crystal structure of 2-[4(<i>E</i>)-2,6-bis(4-chlorophenyl)-3-ethylpiperidin-4-ylidene]acetamide Acta Crystallographica Section E, 2015, 71, o832-o833 |
| 2241213 | CIF HKL Paper | C13 H12 F N O3 S | P n a 21 | 20.2188; 12.1199; 5.177 90; 90; 90 | 1268.62 | Rodrigues, Vinola Z.; Preema, C. P.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A. Crystal structures of 4-methoxy-<i>N</i>-(4-methylphenyl)benzenesulfonamide and <i>N</i>-(4-fluorophenyl)-4-methoxybenzenesulfonamide Acta Crystallographica Section E, 2015, 71, 1388-1391 |
| 2241236 | CIF | C12 H24 N2 O3 | P n a 21 | 8.436; 18.682; 8.427 90; 90; 90 | 1328.1 | Rojek, Tomasz; Matczak-Jon, Ewa Crystal structure of dicyclohexylammonium nitrate(V) Acta Crystallographica Section E, 2015, 71, o878-o879 |
| 2241307 | CIF HKL Paper | C12 H15 N5 O2 | P n a 21 | 18.8585; 4.7884; 14.4285 90; 90; 90 | 1302.92 | Haslinger, Simone; Laus, Gerhard; Wurst, Klaus; Schottenberger, Herwig Crystal structure of 1-(1-methyl-1<i>H</i>-imidazol-2-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole dihydrate Acta Crystallographica Section E, 2015, 71, o945-o946 |
| 2241429 | CIF HKL | C16 H35 Cl2 O P Zn | P n a 21 | 26.458; 8.9281; 8.579 90; 90; 90 | 2026.53 | Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S. Crystal structures of three complexes of zinc chloride with tri-<i>tert</i>-butylphosphane Acta Crystallographica Section E, 2016, 72, 35-39 |
| 2241445 | CIF HKL Paper | C16 H14 O | P n a 21 | 13.8369; 12.2202; 6.8468 90; 90; 90 | 1157.72 | Wu, Zhongyuan; Reetz, Manfred T.; Harms, Klaus Crystal structure of 7,8,9,10-tetrahydrobenzo[<i>b</i>]naphtho[2,1-<i>d</i>]furan Acta Crystallographica Section E, 2016, 72, 106-108 |
| 2241455 | CIF HKL | C31 H21 As N O5 Re | P n a 21 | 18.1637; 10.3463; 14.5322 90; 90; 90 | 2730.99 | Triantis, Charalampos; Shegani, Antonio; Kiritsis, Christos; Raptopoulou, Catherine P.; Psycharis, Vassilis; Pelecanou, Maria; Pirmettis, Ioannis; Papadopoulos, Minas Crystal structure of <i>fac</i>-tricarbonyl(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)(triphenylarsane-κ<i>As</i>)rhenium(I) Acta Crystallographica Section E, 2016, 72, 114-116 |
| 2241467 | CIF HKL Paper | C12 H10 N6 O4 | P n a 21 | 12.7949; 10.5639; 9.6676 90; 90; 90 | 1306.71 | Karthikeyan, Ammasai; Jeeva Jasmine, Nithianantham; Thomas Muthiah, Packianathan; Perdih, Franc Supramolecular hydrogen-bonding patterns in the N(9)—H protonated and N(7)—H tautomeric form of an <i>N^6^</i>-benzoyladenine salt: <i>N</i>^6^-benzoyladeninium nitrate Acta Crystallographica Section E, 2016, 72, 140-143 |
| 2241487 | CIF HKL Paper | C23 H16 O2 S | P n a 21 | 12.02; 7.576; 18.521 90; 90; 90 | 1687 | Valderrama-García, Bianca X.; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David; Rivera, Ernesto Crystal structure of 2-(thiophen-3-yl)ethyl pyrene-1-carboxylate Acta Crystallographica Section E, 2015, 71, o926-o927 |
| 2241590 | CIF HKL Paper | C24 H56 Eu Mo12 N8 O48 P | P n a 21 | 26.9108; 18.3506; 13.4494 90; 90; 90 | 6641.7 | Ghandour, Yassine; Hammami, Imen; Najmudin, Shabir; Bonifácio, Cecilia; Belkhiria, Mohamed Salah Crystal structure of octakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)europium(III) tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdate(VI) Acta Crystallographica Section E, 2016, 72, 448-451 |
| 2241748 | CIF HKL Paper | C5 H9 O3 P | P n a 21 | 10.4408; 6.2129; 10.5052 90; 90; 90 | 681.45 | Said, Musa A.; Al Belewi, Bayan L.; Hughes, David L. Crystal structure of 4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane Acta Crystallographica Section E, 2016, 72, 1021-1024 |
| 2241780 | CIF HKL Paper | C12 H14 N6 O4 S | P n a 21 | 7.2326; 14.3442; 14.094 90; 90; 90 | 1462.19 | Subasri, S.; Timiri, Ajay Kumar; Barji, Nayan Sinha; Venkatesh, Jayaprakash; Vijayan, Viswanathan; Velmurugan, Devadasan Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(3-nitrophenyl)acetamide monohydrate and <i>N</i>-(2-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide Acta Crystallographica Section E, 2016, 72, 1171-1175 |
| 2241794 | CIF HKL Paper | C2 H11 N2 O3 P | P n a 21 | 8.069; 6.997; 11.7001 90; 90; 90 | 660.57 | Katinaitė, Judita; Harrison, William T. A. Different cation-protonation patterns in molecular salts of unsymmetrical dimethyhydrazine: C~2~H~9~N~2~·Br and C~2~H~9~N~2~·H~2~PO~3~ Acta Crystallographica Section E, 2016, 72, 1206-1210 |
| 2241810 | CIF HKL Paper | C14 H18 N2 O4 | P n a 21 | 18.508; 4.994; 29.594 90; 90; 90 | 2735 | Faizi, Md. Serajul Haque; Ahmad, Musheer; Golenya, Irina A. Crystal structure of 4-[4-(ethoxycarbonyl)piperazin-1-yl]benzoic acid Acta Crystallographica Section E, 2016, 72, 1267-1269 |
| 2241812 | CIF HKL Paper | C10 H9 B O2 | P n a 21 | 9.6655; 6.2286; 29.1778 90; 90; 90 | 1756.58 | Bemisderfer, Kayleigh; Nazarenko, Alexander Y. Two forms of (naphthalen-1-yl)boronic acid Acta Crystallographica Section E, 2016, 72, 1285-1289 |
| 2241875 | CIF HKL Paper | C16 H15 N O2 S | P n a 21 | 10.547; 17.317; 7.592 90; 90; 90 | 1386.6 | Yennawar, Hemant P.; Yang, Ziwei; Silverberg, Lee J. Crystal structure of <i>rac</i>-2,3-diphenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one 1-oxide Acta Crystallographica Section E, 2016, 72, 1541-1543 |
| 2241883 | CIF HKL | C14 H15 N O4 S | P n a 21 | 10.197; 18.6174; 7.5136 90; 90; 90 | 1426.39 | Azotla-Cruz, Liliana; Shishkina, Svitlana; Ukrainets, Igor; Lijanova, Irina; Likhanova, Natalya Crystal structure of methyl 1-allyl-4-methyl-1<i>H</i>-benzo[<i>c</i>][1,2]thiazine-3-carboxylate 2,2-dioxide Acta Crystallographica Section E, 2016, 72, 1574-1576 |
| 2241890 | CIF HKL | C16 H22 Ag N5 O6 S | P n a 21 | 9.0947; 31.0133; 7.1934 90; 90; 90 | 2028.95 | Park, Hyunjin; Kwon, Eunjin; Yoon, Il; Kim, Jineun Crystal structure of <i>catena</i>-poly[[(<i>N</i>,<i>N</i>-diethyl-3-mesitylsulfonyl-1<i>H</i>-1,2,4-triazole-1-carboxamide-κ<i>N</i>^1^)silver(I)]-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>] Acta Crystallographica Section E, 2016, 72, 1610-1613 |
| 2241891 | CIF HKL Paper | C6 H16 Cl N O | P n a 21 | 12.816; 6.371; 10.439 90; 90; 90 | 852.4 | Averkiev, Boris B.; Valencia, Bianca C.; Getmanenko, Yulia A.; Timofeeva, Tatiana V. Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>-triethylhydroxylammonium chloride Acta Crystallographica Section E, 2016, 72, 1607-1609 |
| 2241927 | CIF HKL Paper | C19 H22 N2 O3 | P n a 21 | 7.9081; 5.8434; 37.4435 90; 90; 90 | 1730.27 | Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael Crystal structure of 1,3-bis[(<i>E</i>)-4-methoxybenzylideneamino]propan-2-ol Acta Crystallographica Section E, 2016, 72, 1731-1733 |
| 2242003 | CIF HKL | C20 H22 Cl N O | P n a 21 | 13.0578; 22.6513; 5.93756 90; 90; 90 | 1756.19 | Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P. Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones Acta Crystallographica Section E, 2017, 73, 107-111 |
| 2242004 | CIF HKL | C18 H16 Cl3 N O | P n a 21 | 13.243; 22.3945; 5.81947 90; 90; 90 | 1725.88 | Arulraj, R.; Sivakumar, S.; Kaur, Manpreet; Thiruvalluvar, A.; Jasinski, Jerry P. Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones Acta Crystallographica Section E, 2017, 73, 107-111 |
| 2242133 | CIF HKL Paper | C17 H12 Br N3 O2 | P n a 21 | 6.715; 13.504; 16.757 90; 90; 90 | 1519.5 | Vrijdag, Johannes; Van den Bogaert, An; De Borggraeve, Wim; Van Meervelt, Luc Crystal structure of 5-benzyl-8-bromo-2-methyl-1,3-oxazolo[4,5-<i>c</i>][1,8]naphthyridin-4(5<i>H</i>)-one Acta Crystallographica Section E, 2017, 73, 687-690 |
| 2242564 | CIF HKL Paper | C10 H9 I O4 | P n a 21 | 7.7483; 19.3451; 7.2338 90; 90; 90 | 1084.29 | Hauptvogel, Ines; Seichter, Wilhelm; Weber, Edwin Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate Acta Crystallographica Section E, 2018, 74, 1093-1096 |
| 2242644 | CIF HKL Paper | C11 H9 N O S | P n a 21 | 11.1559; 3.9258; 21.6293 90; 90; 90 | 947.27 | Gibbons, Dáire; Emandi, Ganapathi; Senge, Mathias O. Crystal structure and synthesis of 3-(1<i>H</i>-pyrrol-2-yl)-1-(thiophen-2-yl)propanone Acta Crystallographica Section E, 2018, 74, 1463-1466 |
| 2242666 | CIF HKL Paper | C8 H9 N O2 | P n a 21 | 11.1719; 16.426; 4.0249 90; 90; 90 | 738.61 | Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns Acta Crystallographica Section E, 2018, 74, 1553-1560 |
| 2242819 | CIF Paper | C15 H13 Br N2 O | P n a 21 | 9.6002; 11.5584; 12.5823 90; 90; 90 | 1396.2 | Anitha, Azhagan Ganapathi; Arunagiri, Chidambaram; Subashini, Annamalai Synthesis, X-ray crystal structure, Hirshfeld surface analysis and DFT studies of (<i>E</i>)-<i>N</i>'-(2-bromobenzylidene)-4-methylbenzohydrazide Acta Crystallographica Section E, 2019, 75, 109-114 |
| 2242873 | CIF HKL Paper | C15 H12 F3 N O3 | P n a 21 | 30.79; 9.0703; 4.8579 90; 90; 90 | 1356.69 | Demir Kanmazalp, Sibel; Doĝan, Onur Erman; Dege, Necmi; Aĝar, Erbil; Bulbul, Hakan; Golenya, Irina A. (<i>Z</i>)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol Acta Crystallographica Section E, 2019, 75, 470-474 |
| 2242936 | CIF HKL Paper | C23 H18 N4 O2 S | P n a 21 | 20.9154; 11.4208; 8.8938 90; 90; 90 | 2124.5 | Demir Kanmazalp, Sibel; Şen, Pınar; Dege, Necmi; Yildiz, Salih Zeki; Ozdemir, Namık; Golenya, Irina A. Crystal structure and Hirshfeld surface analysis of 4-[4-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile dimethyl sulfoxide monosolvate Acta Crystallographica Section E, 2019, 75, 780-784 |
| 2243024 | CIF HKL Paper | C14 H8 Br Cl2 N3 O2 | P n a 21 | 13.9181; 13.4336; 8.408 90; 90; 90 | 1572.05 | Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A. Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene Acta Crystallographica Section E, 2019, 75, 1199-1204 |
| 2243025 | CIF HKL Paper | C14 H8 Cl3 N3 O2 | P n a 21 | 13.8689; 13.3674; 8.362 90; 90; 90 | 1550.24 | Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mammadova, Gunay Z.; Niyazova, Ayten A.; Shikhaliyeva, Irada M.; Toze, Flavien A. A. Crystal structures and Hirshfeld surface analyses of the two isotypic compounds (<i>E</i>)-1-(4-bromophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene and (<i>E</i>)-1-(4-chlorophenyl)-2-[2,2-dichloro-1-(4-nitrophenyl)ethenyl]diazene Acta Crystallographica Section E, 2019, 75, 1199-1204 |
| 2243064 | CIF HKL Paper | C11 H9 F3 N4 S | P n a 21 | 7.6595; 20.9841; 7.8641 90; 90; 90 | 1263.98 | Slyvka, Yurii; Goreshnik, Evgeny; Pokhodylo, Nazariy; Mys`kiv, Marian Crystal structure, Hirshfeld surface analysis and computational studies of 5-[(prop-2-en-1-yl)sulfanyl]-1-[2-(trifluoromethyl)phenyl]-1<i>H</i>-tetrazole Acta Crystallographica Section E, 2019, 75, 1331-1335 |
| 2243072 | CIF HKL Paper | C12 H15 N3 O2 S | P n a 21 | 11.7579; 15.0584; 7.1103 90; 90; 90 | 1258.92 | Tran Buu, Dang; Duong Ba, Vu; Khoi Nguyen Hoang, Minh; Vu Quoc, Trung; Duong Khanh, Linh; Oanh Doan Thi, Yen; Van Meervelt, Luc Synthesis and redetermination of the crystal structure of salicylaldehyde <i>N</i>(4)-morpholinothiosemicarbazone Acta Crystallographica Section E, 2019, 75, 1389-1393 |
| 2243104 | CIF HKL Paper | C15 H22 N2 O5 | P n a 21 | 9.3225; 28.261; 5.8228 90; 90; 90 | 1534.1 | Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions Acta Crystallographica Section E, 2019, 75, 1494-1506 |
| 2243105 | CIF HKL Paper | C15 H20 N2 O5 | P n a 21 | 9.069; 28.528; 5.8375 90; 90; 90 | 1510.3 | Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions Acta Crystallographica Section E, 2019, 75, 1494-1506 |
| 2243138 | CIF HKL Paper | C13 H30 Cl3 Cu N5 O14 | P n a 21 | 18.99; 9.364; 13.636 90; 90; 90 | 2424.8 | Tsymbal, Liudmyla V.; Arion, Vladimir B.; Lampeka, Yaroslaw D. The first structural characterization of the protonated azacyclam ligand in <i>catena</i>-poly[[[(perchlorato)copper(II)]-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane] bis(perchlorate)] Acta Crystallographica Section E, 2019, 75, 1700-1704 |
| 2243204 | CIF Paper | Al2 H12 N3 O12 P3 | P n a 21 | 8.98884; 17.01605; 8.67653 90; 90; 90 | 1327.11 | Nicholas, Christopher P.; Mowat, John P.S.; Broach, Robert W. Structure refinement of (NH~4~)~3~Al~2~(PO~4~)~3~ prepared by ionothermal synthesis in phosphonium based ionic liquids ‒ a redetermination Acta Crystallographica Section E, 2019, 75, 1897-1901 |
| 2243244 | CIF HKL Paper | C18 H17 Cl N2 O2 | P n a 21 | 26.2059; 4.8119; 12.8084 90; 90; 90 | 1615.14 | Arjun, H. A.; Anil Kumar, G. N.; Elancheran, R.; Kabilan, S. Crystal structure, DFT and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[(1-chloro-3,4-dihydronaphthalen-2-yl)methylidene]benzohydrazide monohydrate Acta Crystallographica Section E, 2020, 76, 132-136 |
| 2243308 | CIF HKL Paper | C11 H16 N2 O | P n a 21 | 6.9683; 7.9683; 18.975 90; 90; 90 | 1053.6 | Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Harish Chinthal, Chayanna; Foro, Sabine; Glidewell, Christopher Crystal structures of the recreational drug <i>N</i>-(4-methoxyphenyl)piperazine (MeOPP) and three of its salts Acta Crystallographica Section E, 2020, 76, 488-495 |
| 2243429 | CIF HKL Paper | C43 H88 K2 N6 O14 | P n a 21 | 21.1326; 8.547; 29.9188 90; 90; 90 | 5403.9 | Chung, Amanda B.; Ziller, Joseph W.; Evans, William J. Reductive cleavage of <i>N</i>,<i>N</i>'-di-<i>tert</i>-butylcarbodiimide generates <i>tert</i>-butylcyanamide ligands, (Me~3~CNCN)^{-^}, that bind potassium both end-on and side-on in the same single crystal Acta Crystallographica Section E, 2020, 76, 1047-1050 |
| 2243450 | CIF HKL Paper | C13 H9 I N2 O3 | P n a 21 | 12.8022; 24.4556; 4.1459 90; 90; 90 | 1298.02 | Faizi, Md. Serajul Haque; Alagöz, Tenzile; Ahmed, Ruby; Cinar, Emine Berrin; Agar, Erbil; Dege, Necmi; Mashrai, Ashraf Crystal structure and Hirshfeld surface analysis of 2-{[(4-iodophenyl)imino]methyl}-4-nitrophenol Acta Crystallographica Section E, 2020, 76, 1146-1149 |
| 2243487 | CIF HKL Paper | C24 H33 N O2 | P n a 21 | 10.2778; 11.4064; 17.5586 90; 90; 90 | 2058.4 | Wannapaiboon, Suttipong; Hanlumyuang, Yuranan; Chansaenpak, Kantapat; Pinyou, Piyanut; Veranitisagul, Chatchai; Laobuthee, Apirat; Wattanathana, Worawat Crystal structure and Hirshfeld surface analysis of the product of the ring-opening reaction of a dihydrobenzoxazine: 6,6'-[(cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol) Acta Crystallographica Section E, 2020, 76, 1239-1244 |
| 2243659 | CIF HKL Paper | C7 H4 Cl F O2 | P n a 21 | 14.273; 12.7102; 3.7154 90; 90; 90 | 674.02 | Triggs, Christopher T.; Tanski, Joseph M. Crystallographic and spectroscopic characterization of 3-chloro-5-fluorosalicylaldehyde Acta Crystallographica Section E, 2020, 76, 1810-1812 |
| 2243668 | CIF HKL Paper | C18 H22 O4 | P n a 21 | 11.2952; 20.9595; 6.684 90; 90; 90 | 1582.4 | Rutledge, Kelli M.; Griesbach, Caleb; Mercado, Brandon Q.; Peczuh, Mark W. Structures of three disubstituted [13]-macrodilactones reveal effects of substitution on macrocycle conformation Acta Crystallographica Section E, 2020, 76, 1617-1623 |
| 2243702 | CIF HKL Paper | C3 H6 N4 O3 | P n a 21 | 7.27; 9.907; 8.551 90; 90; 90 | 615.9 | Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate Acta Crystallographica Section E, 2021, 77, 34-41 |
| 2243705 | CIF HKL Paper | C13 H12 N2 O2 | P n a 21 | 8.284; 8.006; 31.637 90; 90; 90 | 2098.2 | Tojiboev, Akmal; Zhurakulov, Sherzod; Vinogradova, Valentina; Englert, Ulli; Wang, Ruimin Crystal structure, Hirshfeld surface analysis and energy framework study of 6-formyl-7,8,9,11-tetrahydro-5<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-11-one Acta Crystallographica Section E, 2021, 77, 47-51 |
| 2243805 | CIF HKL Paper | C15 H11 N3 O4 S | P n a 21 | 20.085; 20.165; 7.322 90; 90; 90 | 2965.5 | Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher Different patterns of supramolecular aggregation in three amides containing <i>N</i>-(benzo[<i>d</i>]thiazolyl) substituents Acta Crystallographica Section E, 2021, 77, 504-511 |
| 2243815 | CIF HKL | C23 H31 N3 O5 Zn | P n a 21 | 14.5937; 11.4425; 13.5794 90; 90; 90 | 2267.6 | Noor, Shabana; Suda, Shintaro; Haraguchi, Tomoyuki; Khatoon, Fehmeeda; Akitsu, Takashiro Chiral crystallization of a zinc(II) complex Acta Crystallographica Section E, 2021, 77, 542-546 |
| 2243904 | CIF Paper | C12 H9 N3 O2 | P n a 21 | 16.2689; 12.8086; 4.9983 90; 90; 90 | 1041.55 | Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry Acta Crystallographica Section E, 2021, 77 |
| 2243905 | CIF Paper | C12 H8 F N3 O2 | P n a 21 | 16.6058; 12.9096; 4.9153 90; 90; 90 | 1053.71 | Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry Acta Crystallographica Section E, 2021, 77 |
| 2243933 | CIF HKL Paper | C3 H6 N4 O2 | P n a 21 | 10.7174; 13.8944; 4.0643 90; 90; 90 | 605.22 | Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B. Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt Acta Crystallographica Section E, 2021, 77 |
| 2243949 | CIF HKL Paper | C19 H21 N O2 | P n a 21 | 17.3298; 14.1856; 6.5857 90; 90; 90 | 1618.99 | Gümüş, Mustafa Kemal; Kansiz, Sevgi; Tulemisova, Gulzhamal Bagitovna; Dege, Necmi; Saif, Eiad Crystal structure and Hirshfeld surface analysis of 3-(hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one Acta Crystallographica Section E, 2022, 78 |
| 2243994 | CIF HKL Paper | C20 H26 Cu N2 O6 | P n a 21 | 8.3068; 24.328; 10.137 90; 90; 90 | 2048.6 | Plyuta, Nataliya; Kokozay, Vladimir N.; Rusanova, Julia A.; Buvailo, Halyna; Goreshnik, Evgeny; Petrusenko, Svitlana A bis-chelate <i>o</i>-vanillin-2-ethanolamine copper(II) complex bearing both imine and amine forms of the ligand Acta Crystallographica Section E, 2021, 77, 1272-1275 |
| 2244117 | CIF HKL Paper | C14 H8 Br3 N3 O2 | P n a 21 | 13.8678; 13.5442; 8.3017 90; 90; 90 | 1559.29 | Akkurt, Mehmet; Yıldırım, Sema Öztürk; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Niyazova, Ayten A.; Khrustalev, Victor N.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]diazene Acta Crystallographica Section E, 2022, 78 |
| 2244153 | CIF HKL Paper | C30 H38 N4 O6 | P n a 21 | 17.8424; 8.8124; 34.9337 90; 90; 90 | 5492.8 | Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher Syntheses and crystal structures of 4-(4-methoxyphenyl)piperazin-1-ium 4-methylbenzoate monohydrate and bis[4-(4-methoxyphenyl)piperazin-1-ium] benzene-1,2-dicarboxylate Acta Crystallographica Section E, 2022, 78 |
| 2244178 | CIF HKL Paper | C17 H17 N3 O3 | P n a 21 | 18.7779; 10.0699; 15.7288 90; 90; 90 | 2974.18 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Shankara Prasad, Holehundi J.; Yathirajan, Hemmige S.; Parkin, Sean Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90K Acta Crystallographica Section E, 2022, 78 |
| 2244182 | CIF HKL Paper | C12 H13 N3 | P n a 21 | 13.4639; 7.8555; 20.1288 90; 90; 90 | 2128.94 | Collis, Gavin; Bilyk, Alex; Kazanori, Ueno; Forsyth, Craig M. Intermolecular hydrogen bonding in <i>N</i>-methyl-<i>N</i>'-(pyridin-2-yl)benzene-1,2-diamine Acta Crystallographica Section E, 2022, 78 |
| 2244200 | CIF HKL Paper | C36 H32 Br2 Fe N12 O4 | P n a 21 | 27.4318; 12.6723; 10.6434 90; 90; 90 | 3699.9 | Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym Crystal structure of bis{3-(3-bromo-4-methoxyphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1,2,4-triazol-3-ato}iron(II) methanol disolvate Acta Crystallographica Section E, 2022, 78, 1138-1142 |
| 2244236 | CIF HKL Paper | C20 H20 N2 O3 | P n a 21 | 16.423; 6.5609; 33.469 90; 90; 90 | 3606.3 | Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors. Acta crystallographica. Section E, Crystallographic communications, 2023, 79, 280-286 |
| 2300451 | CIF Paper | C12 H18 N2 O3 S | P n a 21 | 20.31875; 7.84999; 9.10539 90; 90; 90 | 1452.33 | Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods Journal of Applied Crystallography, 2014, 47, 659-667 |
| 2300509 | CIF HKL | C6 H9 N3 O6 | P n a 21 | 9.0136; 21.5; 4.7005 90; 90; 90 | 910.9 | Prasad, A. Aditya; Meenakshisundaram, S. P. Hydrogen-bonded supramolecular architecture in nonlinear optical ammonium 2,4-dinitrophenolate hydrate Journal of Applied Crystallography, 2015, 48 |
| 2300660 | CIF Paper | C15 H15 N O | P n a 21 | 9.5277; 11.1555; 11.7848 90; 90; 90 | 1252.56 | Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Rao, Devarapalli Chenna; Gopalaiah, Kovuru; Kumar, Binay An insight into the synthesis, crystal structure, geometrical modelling of crystal morphology, Hirshfeld surface analysis and characterization ofN-(4-methylbenzyl)benzamide single crystals Journal of Applied Crystallography, 2017, 50, 1498 |
| 2300727 | CIF HKL | C16 H10 Br2 O | P n a 21 | 8.226; 13.408; 12.222 90; 90; 90 | 1348 | Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M. Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan Journal of Applied Crystallography, 2024, 57 |
| 2300730 | CIF | C8 H11 F2 N3 O | P n a 21 | 15.0815; 24.6147; 5.0146 90; 90; 90 | 1861.55 | Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>. Journal of applied crystallography, 2024, 57, 161-174 |
| 2300743 | CIF | Ca0.45 O3 Pb0.55 Ti | P n a 21 | 7.777666; 5.518537; 5.527827 90; 90; 90 | 237.262 | Estrada, Flávia Regina; Moreno-Gobbi, Ariel; Damjanovic, Dragan; Garcia, Ducinei Polar orientation and extension in a novel crystallographic model for PbTiO3-based perovskites explaining the experimental ferroelectric thermal anomalies Journal of Applied Crystallography, 2024, 57, 808-817 |
| 2310327 | CIF | Cl4 K2 Zn | P n a 21 | 27.251; 12.578; 7.239 90; 90; 90 | 2481.26 | Ferrari, E. S.; Roberts, K. J.; Thomson, G. B.; Gale, J. D.; Catlow, C. R. A. Interatomic potential parameters for potassium tetrachlorozincate and their application to modelling its phase transformations Acta Crystallographica Section A, 2001, 57, 264-271 |
| 2310490 | CIF | Al2 S4 Zn | P n a 21 | 12.825; 7.5; 6.099 90; 90; 90 | 586.648 | Steigmann, G.A. The crystal structure of Zn Al2 S4 Acta Crystallographica (1,1948-23,1967), 1967, 23, 142-147 |
| 2310547 | CIF | C N2 Pb | P n a 21 | 5.553; 11.732; 3.867 90; 90; 90 | 251.927 | Cooper, M.J. The Structures of Some Inorganic Cyanamides. II. The Structure of Lead Cyanamide Acta Crystallographica (1,1948-23,1967), 1964, 17, 1452-1456 |
| 2310919 | CIF | C2 H8 Cl2 N4 Pb S2 | P n a 21 | 21.2; 4.06; 12.02 90; 90; 90 | 1034.58 | Nardelli, M.; Fava, G. The Crystal Structure of bis-Thiourea-Lead(II) Chloride Acta Crystallographica (1,1948-23,1967), 1959, 12, 727-732 |
| 2311098 | CIF HKL | C6 H7 Cl N2 O3 | P n a 21 | 16.8015; 6.5945; 22.4243 90; 90; 90 | 2484.56 | Athmani, Hamza; Kijatkin, Christian; Benali-Cherif, Rim; Pillet, Sébastien; Schaniel, Dominik; Imlau, Mirco; Benali-Cherif, Nourredine; Bendeif, El-Eulmi Nonlinear optical organic‒inorganic crystals: synthesis, structural analysis and verification of harmonic generation in tri-(<i>o</i>-chloroanilinium nitrate) Acta Crystallographica Section A, 2019, 75, 107-114 |
| 2311141 | CIF Paper | C19 H18 O4 | P n a 21 | 13.442; 8.0015; 14.2416 90; 90; 90 | 1531.8 | Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Saeed, Aamer; Flörke, Ulrich 9-(2-Hy-droxy-6-oxocyclo-hex-1-en-1-yl)-2,3,4,9-tetra-hydro-1H-xanthen-1-one. Acta crystallographica. Section E, Structure reports online, 2013, 69, o616-7 |
| 2311227 | CIF Paper | C22 H21 Br N4 O S | P n a 21 | 21.889; 5.7384; 16.6941 90; 90; 90 | 2096.9 | Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R. 2-((1E)-1-{2-[(2Z)-3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)pyridin-1-ium bromide monohydrate. Acta crystallographica. Section E, Structure reports online, 2014, 70, o478-9 |
| 2311350 | CIF Paper | C11 H20 Cu4 N9 | P n a 21 | 19.509; 8.2306; 11.1 90; 90; 90 | 1782.3 | Corfield, Peter W. R.; Sabatino, Alexander Crystal structures of two mixed-valence copper cyanide complexes with <i>N</i>-methyl-ethylenedi-amine. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 141-146 |
| 2311352 | CIF Paper | C6 H7 Cs O7 | P n a 21 | 8.7362; 20.5351; 5.1682 90; 90; 90 | 927.17 | Rammohan, Alagappa; Kaduk, James A. Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 133-136 |
| 2311353 | CIF | C6 H7 Cs O7 | P n a 21 | 8.7362; 20.5351; 5.1682 90; 90; 90 | 927.169 | Rammohan, Alagappa; Kaduk, James A. Crystal structure of caesium di-hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 133-136 |
| 2311395 | CIF Paper | C17 H11 N O6 | P n a 21 | 9.3022; 28.482; 5.5208 90; 90; 90 | 1462.7 | Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail Two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates: structural differences and C-H⋯O hydrogen-bonded supra-molecular assemblies. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1087-1091 |
| 2311456 | CIF Paper | C28 H28 O2 | P n a 21 | 8.5797; 14.745; 16.772 90; 90; 90 | 2121.8 | Anis'kov, Alexander; Grinev, Vyacheslav; Klochkova, Irina Crystal structure and features of 3',8-di-benzyl-idene-4a,5,6,7,8,8a-hexa-hydro-2'<i>H</i>-spiro-[chromene-2,1'-cyclo-hexa-n]-2'-one. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1622-1625 |
| 2311536 | CIF Paper | C9 H9 N5 O8 | P n a 21 | 21.577; 3.5533; 16.096 90; 90; 90 | 1234.1 | Liu, Ling-Li Stoichiometric and polymorphic salt of imidazolium picrate monohydrate. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1885-1888 |
| 2311612 | CIF | C14 H20 Cl N O2 | P n a 21 | 20.781; 9.1981; 7.3785 90; 90; 90 | 1410.4 | Wyss, Sara; Werner, Irmgard A.; Schweizer, W. Bernd; Ametamey, Simon M.; Milicevic Sephton, Selena Preparation and structural analysis of (±)-threo-ritalinic acid. Acta crystallographica. Section C, Crystal structure communications, 2013, 69, 1225-1228 |
| 2311693 | CIF | C8 H18 N2 O3 | P n a 21 | 24.376; 7.5507; 5.8064 90; 90; 90 | 1068.7 | Yajima, Tatsuo; Kimura, Makiko; Hori, Yoshihiro; Shiraiwa, Tadashi Structures of N-acetyl-DL-isoleucine, N-acetyl-DL-alloisoleucine and their ammonium salts; role of ammonium ions in crystal structure formation. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2016, 72, 650-657 |
| 2311734 | CIF | C14 H11 F3 N2 | P n a 21 | 11.5823; 13.8757; 7.4479 90; 90; 90 | 1196.97 | Dey, Dhananjay; Chopra, Deepak Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 781-793 |
| 2311737 | CIF | C15 H10 F6 N2 | P n a 21 | 11.2082; 16.2891; 15.2689 90; 90; 90 | 2787.67 | Dey, Dhananjay; Chopra, Deepak Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones. Acta crystallographica Section B, Structural science, crystal engineering and materials, 2017, 73, 781-793 |
| 2311852 | CIF Paper | C19 H38 N3 O P2 | P n a 21 | 21.9179; 8.9546; 20.3544 90; 90; 90 | 3994.9 | Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie Syntheses and structures of four new mixed-amide phosphoric triamides. Acta crystallographica. Section C, Structural chemistry, 2016, 72, 251-259 |
| 2312058 | CIF HKL Paper | C12 H8 N2 O3 S | P n a 21 | 23.0774; 12.5622; 3.8498 90; 90; 90 | 1116.07 | Sample, Harry C.; Twamley, Brendan; Senge, Mathias O. Structures of <i>S</i>-(pyridin-2-yl) 4-nitro-benzo-thio-ate, <i>S</i>-(pyridin-2-yl) 4-methyl-benzo-thio-ate and <i>S</i>-(pyridin-2-yl) 4-meth-oxy-benzo-thio-ate: building blocks for low-symmetry multifunctional tetra-pyrroles. Acta crystallographica. Section E, Crystallographic communications, 2023, 79, 157-162 |
| 2312308 | CIF HKL Paper | C16 H12 N2 O10 Tc2 | P n a 21 | 18.116; 10.359; 12.148 90; 90; 90 | 2280 | Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A. X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation. Acta crystallographica. Section C, Structural chemistry, 2023, 79 |
| 2312309 | CIF HKL Paper | C18 H16 N2 O8 Tc2 | P n a 21 | 18.116; 10.359; 12.148 90; 90; 90 | 2280 | Zuhayra, Maaz; Lützen, Arne; Ruiz, Miguel A. X-ray-determined structure of the technetium complex [Tc<sub>2</sub>(μ-CO)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] revisited: [Tc<sub>2</sub>(μ-OMe)<sub>2</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>(CO)<sub>6</sub>] as the correct formulation. Acta crystallographica. Section C, Structural chemistry, 2023, 79 |
| 3000114 | CIF | B3 Li O5 | P n a 21 | 8.478; 7.398; 5.22 90; 90; 90 | 327.4 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000115 | CIF | B3 Li O5 | P n a 21 | 8.4386; 7.3725; 5.1954 90; 90; 90 | 323.22 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000116 | CIF | B3 Li O5 | P n a 21 | 8.4524; 7.3868; 5.202 90; 90; 90 | 324.79 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000117 | CIF | B3 Li O5 | P n a 21 | 8.4437; 7.377; 5.189 90; 90; 90 | 323.22 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000118 | CIF | B3 Li O5 | P n a 21 | 8.501; 7.4043; 5.211 90; 90; 90 | 328 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000119 | CIF | B3 Li O5 | P n a 21 | 8.446; 7.3749; 5.175 90; 90; 90 | 322.34 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000120 | CIF | B3 Li O5 | P n a 21 | 8.4605; 7.3809; 5.1703 90; 90; 90 | 322.87 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000121 | CIF | B3 Li O5 | P n a 21 | 8.4453; 7.3653; 5.1564 90; 90; 90 | 320.74 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000122 | CIF | B3 Li O5 | P n a 21 | 8.5109; 7.4112; 5.173 90; 90; 90 | 326.29 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
| 3000450 | CIF | C13 H10 N2 O3 | P n a 21 | 23.456; 3.811; 24.879 90; 90; 90 | 2223.95 | Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Zhao, Yakai; Fujimoto, Yushi; Nishizawa, Tomohiro; Kalita, Nabadeep; Tsuzuki, Seiji; Ito, Fuyuki; Ramamurty, Upadrasta; Thakuria, Ranjit; Kurisu, Genji Mechanically-sensitive fluorochromism by molecular domino transformation in a Schiff base crystal Journal of Materials Chemistry C, 2024, 12, 8508-8513 |
| 3000486 | On hold until 2024-07-25 | C47 H31 Cl3 N4 S | P n a 21 | 10.3123; 15.4065; 24.0862 90; 90; 90 | 3826.73 | Rakovský, Erik; Hrobárik, Peter To be published |
| 3500006 | CIF | C30 H54 N14 Ni O3 S | P n a 21 | 15.37; 18.304; 13.372 90; 90; 90 | 3762 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Personal communication to COD, 2011 |
| 3500007 | CIF | C30 H54 N14 Ni O3 S | P n a 21 | 15.349; 18.253; 13.274 90; 90; 90 | 3718.9 | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas Personal communication to COD, 2011 |
| 3500101 | CIF HKL | C9 H12 O3 | P n a 21 | 12.9744; 5.1182; 12.7942 90; 90; 90 | 849.61 | Thierry Maris Personal communication to COD, 2020 |
| 3500124 | CIF HKL | C6 H16 Cl2 Cu N4 O14 | P n a 21 | 26.241; 12.644; 10.303 90; 90; 90 | 3418.4 | Noelia Santamaría; Miguel Quirós; Juan M. Salas Personal communication to COD, 2022 |
| 3500132 | CIF HKL | C17 H22 Cl N O | P n a 21 | 10.7451; 14.031; 10.4824 90; 90; 90 | 1580.37 | Thierry Maris Diphenhydramine hydrochloride - Refinement using Spherical Atom-form-factors Personal communication to COD, 2022 |
| 4000072 | CIF | C26 H32 N6 O6 S2 | P n a 21 | 17.3485; 7.4584; 21.6256 90; 90; 90 | 2798.2 | Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018 |
| 4000073 | CIF | C26 H32 N6 O6 S2 | P n a 21 | 17.3485; 7.4584; 21.6256 90; 90; 90 | 2798.2 | Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials, 2001, 13, 3018 |
| 4000295 | CIF | C20 H20.6 N2 O6.3 | P n a 21 | 6.5798; 16.699; 17.63 90; 90; 90 | 1937.2 | Chemistry of Materials, 2003 |
| 4000486 | CIF | As F Fe H4 N O4 | P n a 21 | 13.27; 6.629; 10.866 90; 90; 90 | 955.8 | Bazán, B.; Mesa, J.L.; Pizarro, J.L.; Rodríguez-Fernández, J.; Sánchez Marcos, J.; Roig, A.; Molins, E.; Arriortua, M.I.; Rojo, T. Thermal transformation of (NH4)[Fe(AsO4F] Into The New Textural Porous Orthorhombic Fe(AsO4) Phase. Crystal Structures, Thermal Behavior, Spectroscopic and Magnetic Properties. CM040161S Chemistry of Materials, 2004 |
| 4000571 | CIF | C8 H10 F10 Li N O6 S2 | P n a 21 | 22.447; 10.947; 14.6431 90; 90; 90 | 3598.2 | Chemistry of Materials, 2005 |
| 4000823 | CIF | C15 H20 N3 O3 | P n a 21 | 19.9092; 7.7405; 9.5638 90; 90; 90 | 1473.85 | Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M. Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials Chemistry of Materials, 2011, 23, 4844 |
| 4001030 | CIF | C10 H16 Cl4 N4 Pt Se2 | P n a 21 | 18.824; 7.6306; 12.438 90; 90; 90 | 1786.6 | Choi, Jaewon; Ko, Ju Hong; Jung, Il Gu; Yang, Hye Yun; Ko, Kyoung Chul; Lee, Jin Yong; Lee, Sang Moon; Kim, Hae Jin; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk Reaction of Imidazoline-2-Selone with Acids and Its Use for Selective Coordination of Platinum Ions on Silica Surface Chemistry of Materials, 2009, 21, 2571 |
| 4001301 | CIF | C38 H34 N14 O14 Zn4 | P n a 21 | 30.978; 12.62; 13.339 90; 90; 90 | 5215 | Park, Hyunsoo; Britten, James F.; Mueller, Ulrich; Lee, JeongYong; Li, Jing; Parise, John B. Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal−Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid Chemistry of Materials, 2007, 19, 1302 |
| 4001564 | CIF | C6 H13 Br2 N3 | P n a 21 | 20.0844; 7.9836; 13.0105 90; 90; 90 | 2086.2 | Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J. Novel 〈110〉-Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties Chemistry of Materials, 2006, 18, 3463 |
| 4001624 | CIF | C14 H8 F5 N O2 S | P n a 21 | 8.2084; 5.7718; 28.328 90; 90; 90 | 1342.1 | Nakayama, Hikaru; Nishida, Jun-ichi; Takada, Noriyuki; Sato, Hiroyasu; Yamashita, Yoshiro Crystal Structures and Triboluminescence Based on Trifluoromethyl and Pentafluorosulfanyl Substituted AsymmetricN-Phenyl Imide Compounds Chemistry of Materials, 2012, 24, 671 |
| 4001633 | CIF | C17 H20 N2 | P n a 21 | 12.717; 15.016; 7.578 90; 90; 90 | 1447.1 | Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster Chemistry of Materials, 2012, 24, 954 |
| 4001702 | CIF | F2 K2 Ni2 O8 S2 | P n a 21 | 12.88625; 6.42081; 10.62842 90; 90; 90 | 879.397 | Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes Chemistry of Materials, 2012, 24, 4363 |
| 4001703 | CIF | Co2 F2 K2 O8 S2 | P n a 21 | 13.05136; 6.496875; 10.71796 90; 90; 90 | 908.809 | Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes Chemistry of Materials, 2012, 24, 4363 |
| 4001704 | CIF | F2 Fe2 K2 O8 S2 | P n a 21 | 13.15116; 6.539302; 10.86887 90; 90; 90 | 934.716 | Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes Chemistry of Materials, 2012, 24, 4363 |
| 4001720 | CIF | Ag0.85 K0.15 O5 P Ti | P n a 21 | 12.534; 6.2939; 10.524 90; 90; 90 | 830.215 | Harrison, W.T.A.; Phillips, M.L.F.; Calabrese, J.C.; McCarron, E.M.; Stucky, G.D.; Gier, T.E. Effects of Substitution Chemistry in the KTiOPO4 Structure Field Chemistry of Materials (1,1989-), 1992, 4, 222-233 |
| 4001952 | CIF | C44 H32 | P n a 21 | 15.2045; 13.901; 14.3104 90; 90; 90 | 3024.6 | McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J. Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties Chemistry of Materials, 2013, 25, 2254 |
| 4002258 | CIF | Al H2 Li O5 Si | P n a 21 | 10.3369; 8.2125; 5.0074 90; 90; 90 | 425.087 | Norby, P.; Hanson, J.C.; Fitch, A.N.; Vaughan, G.; Flaks, L.; Gualtieri, A. Formation of alpha-eucryptite, Li Al Si O4: an in-situ synchrotron X-ray powder diffraction study of a high temperature hydrothermal synthesis Chemistry of Materials (1,1989-), 2000, 12, 1473-1479 |
| 4002352 | CIF | Be H4 N O4 P | P n a 21 | 8.7173; 8.5889; 4.9673 90; 90; 90 | 371.912 | Zhang, H.-Y.; Zhao, D.-Y.; Shi, Z.; Chen, M.-Q.; Zhou, Y.-M.; Xu, X.; Bu Xianhui Hydrothermal synthesis of new pure beryllophosphate molecular sieve phases from concentrated amines Chemistry of Materials (1,1989-), 2001, 13, 2042-2048 |
| 4002371 | CIF | Bi In O3 | P n a 21 | 5.95463; 5.60182; 8.38631 90; 90; 90 | 279.74 | Belik, A.A.; Takayama-Muromachi, E.; Lazoryak, B.I.; Stefanovich, S.Yu. Bi In O3: a polar oxide with Gd Fe O3-type perovskite structure Chemistry of Materials (1,1989-), 2006, 18, 1964-1968 |
| 4002378 | CIF | Mn N2 Si | P n a 21 | 5.2706; 6.5206; 5.0706 90; 90; 90 | 174.264 | Esmaeilzadeh, S.; Halenius, E.; Valldor, M. Crystal growth, magnetic, and optical properties of the ternary nitride Mn Si N2 Chemistry of Materials (1,1989-), 2006, 18, 2713-2718 |
| 4002383 | CIF | Fe2 O3 | P n a 21 | 5.085; 8.774; 9.468 90; 90; 90 | 422.422 | Gich, M.; Frontera, C.; Ritter, C.; Roig, A.; Nogues, J.; Taboada, E.; Molins, E.; Macedo, W.A.A.; Ardisson, J.D.; Hardy, V.; Rechenberg, H.R.; Sort, J.; Skumryev, V. High- and low-temperature crystal and magnetic structure of epsilon-Fe2 O3 and their correlation to its magnetic properties Chemistry of Materials (1,1989-), 2007, 18, 3889-3897 |
| 4002451 | CIF | Mg Mo3 O12 Zr | P n a 21 | 9.5736; 9.49; 13.1739 90; 90; 90 | 1196.89 | Romao, Carl P.; Perras, Frédéric A.; Werner-Zwanziger, Ulrike; Lussier, Joey A.; Miller, Kimberly J.; Calahoo, Courtney M.; Zwanziger, Josef W.; Bieringer, Mario; Marinkovic, Bojan A.; Bryce, David L.; White, Mary Anne Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties Chemistry of Materials, 2015, 27, 2633-2646 |
| 4002654 | CIF | F K O4 P V | P n a 21 | 12.82; 6.39516; 10.61151 90; 90; 90 | 869.99 | Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V. AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries Chemistry of Materials, 2016, 28, 411 |
| 4002867 | CIF | Ge4 Rb4 Se12 | P n a 21 | 14.87; 13.8; 12.445 90; 90; 90 | 2554 | Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs) Chemistry of Materials, 2017, 29, 9200 |
| 4002868 | CIF | Cs4 Ge4 Se12 | P n a 21 | 15.193; 13.944; 12.845 90; 90; 90 | 2721.2 | Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs) Chemistry of Materials, 2017, 29, 9200 |
| 4002888 | CIF | Cr O6 W Y | P n a 21 | 10.8675; 5.1633; 7.3072 90; 90; 90 | 410.02 | Kim, Sun Woo; Emge, Thomas J.; Deng, Zheng; Uppuluri, Ritesh; Collins, Liam; Lapidus, Saul H.; Segre, Carlo U.; Croft, Mark; Jin, Changqing; Gopalan, Venkatraman; Kalinin, Sergei V.; Greenblatt, Martha YCrWO6: Polar and Magnetic Oxide with CaTa2O6-Related Structure Chemistry of Materials, 2018, 30, 1045 |
| 4002905 | CIF | C4 H12 I4 N2 Pb | P n a 21 | 10.057; 21.376; 6.58 90; 90; 90 | 1414.6 | Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G. Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission Chemistry of Materials, 2019, 31, 3582 |
| 4002944 | CIF | H4 I Mo N O6 | P n a 21 | 7.789; 10.221; 7.344 90; 90; 90 | 584.7 | Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses Chemistry of Materials, 2019, 31, 2992 |
| 4002983 | CIF | C2 H12 Br4 N6 Sn | P n a 21 | 32.082; 8.3226; 10.4238 90; 90; 90 | 2783.2 | Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Wörle, Michael; Benin, Bogdan M.; Rainò, Gabriele; Krumeich, Frank; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Kovalenko, Maksym V. Guanidinium and Mixed Cesium-Guanidinium Tin(II) Bromides: Effects of Quantum Confinement and Out-of-Plane Octahedral Tilting. Chemistry of materials : a publication of the American Chemical Society, 2019, 31, 2121-2129 |
| 4003049 | CIF | C4 H14 Bi I5 N2 | P n a 21 | 18.3099; 10.9142; 8.4635 90; 90; 90 | 1691.33 | Tao, Kewen; Li, Yaobin; Ji, Chengmin; Liu, Xitao; Wu, Zhenyue; Han, Shiguo; Sun, Zhihua; Luo, Junhua A Lead-Free Hybrid Iodide with Quantitative Response to X-ray Radiation Chemistry of Materials, 2019, 31, 5927 |
| 4003068 | CIF | C24 H40 Br4 Cd N2 | P n a 21 | 9.8897; 31.038; 9.657 90; 90; 90 | 2964.3 | Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates Chemistry of Materials, 2019, 31, 4545 |
| 4003297 | CIF | C3 H10 Br3 N Sn | P n a 21 | 15.877; 8.568; 23.078 90; 90; 90 | 3139 | Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br) Chemistry of Materials, 2016, 28, 6968 |
| 4003352 | CIF | B3 Cs O7 Si | P n a 21 | 9.2171; 10.027; 6.9348 90; 90; 90 | 640.913 | Zhou, Zhengyang; Qiu, Yi; Liang, Fei; Palatinus, Lukáš; Poupon, Morgane; Yang, Tao; Cong, Rihong; Lin, Zheshuai; Sun, Junliang CsSiB3O7: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Discovered by the Combination of Electron Diffraction and First-Principles Calculations Chemistry of Materials, 2018, 30, 2203 |
| 4003367 | CIF | C24 H40 Cl16 N8 Pb4 | P n a 21 | 18.105; 15.7555; 16.6214 90; 90; 90 | 4741.3 | Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V. Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties Chemistry of Materials, 2018, 30, 6289 |
| 4003377 | CIF | F H8 N2 O3 P | P n a 21 | 7.9516; 11.3364; 6.0351 90; 90; 90 | 544.02 | Zhang, Bingbing; Han, Guopeng; Wang, Ying; Chen, Xinglong; Yang, Zhihua; Pan, Shilie Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates Chemistry of Materials, 2018, 30, 5397 |
| 4003382 | CIF | F H8 N2 O3 P | P n a 21 | 7.9407; 11.3362; 6.0308 90; 90; 90 | 542.88 | Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials Chemistry of Materials, 2018, 30, 7823 |
| 4003539 | CIF | C23 H15 N O Te | P n a 21 | 19.7678; 30.778; 5.8368 90; 90; 90 | 3551.2 | Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence Chemistry of Materials, 2020 |
| 4003616 | CIF | C41 H51 Cl2 Cu N2 | P n a 21 | 18.4735; 10.151; 19.3448 90; 90; 90 | 3627.62 | Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S. Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance? Chemistry of Materials, 2020 |
| 4003667 | CIF | Ge Li2 S4 Zn | P n a 21 | 13.0676; 7.8387; 6.2164 90; 90; 90 | 636.764 | Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Rosmus, Kimberly A.; Grima, Pedro; Lekse, Jonathan W.; Jang, Joon I.; Aitken, Jennifer A. α-Li2ZnGeS4: A Wide-Bandgap Diamond-like Semiconductor with Excellent Balance between Laser-Induced Damage Threshold and Second Harmonic Generation Response Chemistry of Materials, 2020 |
| 4003687 | CIF | C5 H14 Cd Cl3 N O | P n a 21 | 16.79; 8.0795; 7.7649 90; 90; 90 | 1053.3 | Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance Chemistry of Materials, 2020 |
| 4003688 | CIF | C5 H14 Cd Cl3 N O | P n a 21 | 6.741; 16.67; 9.65 90; 90; 90 | 1084 | Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance Chemistry of Materials, 2020 |
| 4003689 | CIF | C5 H14 Cd Cl3 N O | P n a 21 | 16.942; 8.202; 7.811 90; 90; 90 | 1085.4 | Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance Chemistry of Materials, 2020 |
| 4003881 | CIF | Cl N Zn2 | P n a 21 | 6.137; 7.394; 5.94 90; 90; 90 | 269.5 | Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials Chemistry of Materials, 2021, 33, 1462-1470 |
| 4003882 | CIF | Br N Zn2 | P n a 21 | 6.222; 7.65; 6.094 90; 90; 90 | 290.1 | Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials Chemistry of Materials, 2021, 33, 1462-1470 |
| 4003883 | CIF | Cl2 Li6 O4 Si | P n a 21 | 10.5204; 6.0756; 9.953 90; 90; 90 | 636.17 | Morscher, Alexandra; Dyer, Matthew S.; Duff, Benjamin B.; Han, Guopeng; Gamon, Jacinthe; Daniels, Luke M.; Dang, Yun; Surta, T. Wesley; Robertson, Craig M.; Blanc, Frédéric; Claridge, John B.; Rosseinsky, Matthew J. Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking Chemistry of Materials, 2021, 33, 2206-2217 |
| 4003917 | CIF | Ce F2 I2 O6 | P n a 21 | 8.0451; 6.8485; 11.7325 90; 90; 90 | 646.42 | Zhang, Xiao-Han; Yang, Bing-Ping; Hu, Chun-Li; Chen, Jin; Huang, Qian-Ming; Mao, Jiang-Gao A New Anhydrous Polar Rare-Earth Iodate Fluoride, Ce(IO3)2F2, Exhibiting a Large Second-Harmonic-Generation Effect and Improved Overall Performance Chemistry of Materials, 2021, 33, 2894-2900 |
| 4020059 | CIF | C10 H18 O3 | P n a 21 | 17.2915; 10.6152; 5.8951 90; 90; 90 | 1082.06 | Guindon, Yvan; Brigitte Guérin; Cardinal-David, Benoit Structure of GUIN23 Journal of Organic Chemistry, 2005, 70, 776-784 |
| 4020062 | CIF | C17 H21 Cl2 N O | P n a 21 | 15.9446; 16.674; 6.3663 90; 90; 90 | 1692.5 | Yu-Gui Si; Song-Po Guo; Wan-Jun Wang; Biao Jiang Journal of Organic Chemistry, 2005, 70, 1494-1496 |
| 4020080 | CIF | C67.5 H77.25 N1.75 O12 | P n a 21 | 17.2682; 14.3146; 25.106 90; 90; 90 | 6205.9 | Anh Huu Tran; David O. Miller; Paris E. Georghiou Journal of Organic Chemistry, 2005, 70, 1115-1121 |
| 4020126 | CIF | C18 H19 N O | P n a 21 | 10.5641; 15.7433; 8.3622 90; 90; 90 | 1390.75 | Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse Journal of Organic Chemistry, 2005, 70, 1552-1557 |
| 4020135 | CIF | C24 H21 N O4 | P n a 21 | 15.4047; 8.272; 15.9411 90; 90; 90 | 2031.3 | Kay M. Brummond; Dennis P. Curran; Branko Mitasev; Stefan Fischer Journal of Organic Chemistry, 2005, 70, 1745-1753 |
| 4020164 | CIF | C128 H134 N4 O25 Pd | P n a 21 | 34.3241; 18.0281; 18.0481 90; 90; 90 | 11168.1 | Olga S. Finikova; Sergei E. Aleshchenkov; Raymond P. Brinas; Andrei V. Cheprakov; Patrick J. Carroll; Sergei A. Vinogradov Journal of Organic Chemistry, 2005, 70, 4617-4628 |
| 4020245 | CIF | C30 H28 Br2 Cl2 O10 | P n a 21 | 17.79; 7.9794; 22.872 90; 90; 90 | 3246.8 | Ying Cheng; Qing Zhu; Quan Song Li; Otto Meth-Cohn Journal of Organic Chemistry, 2005, 70, 4840-4846 |
| 4020460 | CIF | C20 H12 Br4 O8 | P n a 21 | 8.9454; 10.6027; 22.6236 90; 90; 90 | 2145.74 | J. Jonathan Harburn; Nigam P. Rath; Christopher D. Spilling Journal of Organic Chemistry, 2005, 70, 6398-6403 |
| 4020514 | CIF | C22 H28 O Si | P n a 21 | 9.164; 13.079; 34.4 90; 90; 90 | 4122.8 | Asunción Barbero; Yolanda Blanco; Francisco J. Pulido Silylcuprates from Allene and Their Reaction with α,β-Unsaturated Nitriles and Imines. Synthesis of Silylated Oxo Compounds Leading to Cyclopentane and Cycloheptane Ring Formation Journal of Organic Chemistry, 2005, 70, 6876-6883 |
| 4020536 | CIF | C56 H68 I4 O24 | P n a 21 | 19.7076; 14.2272; 23.536 90; 90; 90 | 6599.1 | Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure Journal of Organic Chemistry, 2005, 70, 6484-6491 |
| 4020567 | CIF | C15 H14 N2 O | P n a 21 | 19.1888; 10.3555; 13.0681 90; 90; 90 | 2596.76 | Monika Mazik; Dieter Bläser; Roland Boese α,β-Unsaturated Ketoximes Carrying a Terminal Pyridine or Quinoline Subunit as Building Blocks for Supramolecular Syntheses Journal of Organic Chemistry, 2005, 70, 9115-9122 |
| 4020581 | CIF | C11 H13 N O3 | P n a 21 | 18.052; 5.7905; 10.1108 90; 90; 90 | 1056.9 | Alan R. Katritzky; Ashraf A. A. Abdel-Fattah; Anna V. Gromova; Rachel Witek; Peter J. Steel α-Nitro Ketone Synthesis Using N-Acylbenzotriazoles Journal of Organic Chemistry, 2005, 70, 9211-9214 |
| 4020665 | CIF | C28 H11 B F15 N O | P n a 21 | 15.511; 10.2182; 16.1676 90; 90; 90 | 2562.48 | Priyadarshine Hewavitharanage; Evgeny O. Danilov; Douglas C. Neckers Pentafluorophenyl Transfer: A New Group-Transfer Reaction in Organoborate Salts Journal of Organic Chemistry, 2005, 70, 10653-10659 |
| 4020687 | CIF | C23 H14 F6 O2 | P n a 21 | 12.337; 9.686; 31.46 90; 90; 90 | 3760 | Tadatsugu Yamaguchi; Masahiro Irie Photochromism of Bis(2-alkyl-1-benzofuran-3-yl)perfluorocyclopentene Derivatives Journal of Organic Chemistry, 2005, 70, 10323-10328 |
| 4020781 | CIF | C16 H16 Br2 O5 | P n a 21 | 7.2803; 26.718; 8.572 90; 90; 90 | 1667.4 | Ravi S. Orugunty; Dennis L. Wright; Merle A. Battiste; Richard J. Helmich; Khalil Abboud Bicyclo[3.2.1]octane Synthons from Cyclopropenes: Functionalization of Cycloadducts by Nucleophilic Additions Journal of Organic Chemistry, 2004, 69, 406-416 |
| 4021269 | CIF | C20 H17 F O Si | P n a 21 | 15.9305; 7.2465; 28.317 90; 90; 90 | 3268.9 | Seiichiro Higashiya; Woo Jin Chung; Dong Sung Lim; Silvana C. Ngo; William H. Kelly IV; Paul J. Toscano; John T. Welch Synthesis of Mono- and Difluoroacetyltrialkylsilanes and the Corresponding Enol Silyl Ethers Journal of Organic Chemistry, 2004, 69, 6323-6328 |
| 4021293 | CIF | C17 H18 N2 | P n a 21 | 17.61; 9.93; 8.376 89; 89; 90 | 1463 | Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer Journal of Organic Chemistry, 2004, 69, 4997-5004 |
| 4021339 | CIF | C5 H16 B10 | P n a 21 | 20.073; 7.843; 7.27 90; 90; 90 | 1144.6 | Motonori Tsuji Most Stable Conformation of the Cyclopropane Ring Attached at a Carbon Atom in a 1,2-Dicarba-closo-dodecaborane(12) System Journal of Organic Chemistry, 2004, 69, 4063-4074 |
| 4021391 | CIF | C19 H16 | P n a 21 | 12.3588; 14.3481; 7.4226 90; 90; 90 | 1316.2 | Michael E. Garst; Lloyd J. Dolby; Shervin Esfandiari; Rachel A. Okrent; Alfred A. Avey Studies of the Condensation of Sulfones with Ketones and Aldehydes Journal of Organic Chemistry, 2006, 71, 553-556 |
| 4021443 | CIF | C24 H16 | P n a 21 | 18.873; 12.336; 6.7665 90; 90; 90 | 1575.4 | Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State Journal of Organic Chemistry, 2006, 71, 1055-1059 |
| 4021446 | CIF | C24 H15 N O2 | P n a 21 | 20.673; 10.939; 7.5738 90; 90; 90 | 1712.8 | Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State Journal of Organic Chemistry, 2006, 71, 1055-1059 |
| 4021476 | CIF | C34 H48 Cu N8 O5 S2 | P n a 21 | 12.837; 22.303; 13.85 90; 90; 90 | 3965.3 | Martin Walther; Kurt Wermann; Marion Lutsche; Wolfgang Günther; Helmar Görls; Ernst Anders Synthesis of Azolyl Carboximidamides as Ligands for Zn(II) and Cu(II): Application of the Zn(II) Complexes as Catalysts for the Copolymerization of Carbon Dioxide and Epoxides Journal of Organic Chemistry, 2006, 71, 1399-1406 |
| 4021533 | CIF | C10 H17 N O5 | P n a 21 | 9.37; 13.6508; 9.424 90; 90; 90 | 1205.4 | Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study Journal of Organic Chemistry, 2006, 71, 1869-1878 |
| 4021555 | CIF | C20 H20 N2 O S | P n a 21 | 7.4665; 14.5957; 16.4508 90; 90; 90 | 1792.79 | Esen Bellur; Helmar Görls; Peter Langer Domino Reactions of 1,2-Diimidoyl-1,2-dichloroethanes. Synthesis of 3-Imino-1,2-dithia-3H-cyclopent-4-enes, 3-Amino-2-thioxo-2,5H-pyrrol-5-ones, 2,3-Diamino-4-thioxo-4H-thiopyrans, and 6-Imino-6H-1,3-oxazines Journal of Organic Chemistry, 2006, 71, 2332-2338 |
| 4021575 | CIF | C27 H21 N3 O2 | P n a 21 | 22.9793; 5.2856; 34.382 90; 90; 90 | 4176.1 | Lori I. Robins; Richard D. Carpenter; James C. Fettinger; Makhluf J. Haddadin; Dino S. Tinti; Mark J. Kurth Diazocinones: Synthesis and Conformational Analysis Journal of Organic Chemistry, 2006, 71, 2480-2485 |
| 4021751 | CIF | C12 H13 N O3 | P n a 21 | 8.6992; 6.3159; 39.6797 90; 90; 90 | 2180.13 | Fatiah Issa; Joshua Fischer; Peter Turner; Mark J. Coster Regioselective Reduction of 3-Methoxymaleimides: An Efficient Method for the Synthesis of Methyl 5-Hydroxytetramates Journal of Organic Chemistry, 2006, 71, 4703-4705 |
| 4021883 | CIF | C21 H19 O4 P | P n a 21 | 15.461; 19.71; 5.7408 90; 90; 90 | 1749.4 | Babak Kaboudin; Hamideh Haghighat; Tsutomu Yokomatsu A Novel Method for the Separation of Bis(α-hydroxyalkyl)phosphinic Acid Diastereoisomers via Formation of Novel Cyclic Phosphinic Acids Journal of Organic Chemistry, 2006, 71, 6604-6606 |
| 4021904 | CIF | C26 H34 Cr O5 Si | P n a 21 | 32.441; 15.9505; 9.9787 90; 90; 90 | 5163.5 | William H. Moser; Laura A. Feltes; Liangdong Sun; Matthew W. Giese; Ryan W. Farrell Stereoselective [4 + 1] Annulation Reactions with Silyl Vinylketenes Derived from Fischer Carbene Complexes Journal of Organic Chemistry, 2006, 71, 6542-6546 |
| 4021947 | CIF | C22 H18 N2 O3 | P n a 21 | 15.706; 8.93; 12.969 90; 90; 90 | 1818.8 | Nitin T. Patil; Zhibao Huo; Yoshinori Yamamoto Palladium-Catalyzed Decarboxylative Aza-Michael Addition-Allylation Reactions between Allyl Carbamates and Activated Olefins. Generation of Quaternary Carbon Adjacent to Secondary Amine Carbon Center Journal of Organic Chemistry, 2006, 71, 6991-6995 |
| 4022109 | CIF | C15 H19 O4 P | P n a 21 | 11.811; 6.0445; 20.369 90; 90; 90 | 1454.1 | Manab Chakravarty; K. C. Kumara Swamy Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins Journal of Organic Chemistry, 2006, 71, 9128-9138 |
| 4022143 | CIF | C14 H17 N2 O | P n a 21 | 27.3232; 5.8054; 7.9936 90; 90; 90 | 1267.96 | Zeynep Delen; Paul M. Lahti Crystallography and Magnetism of Two 1-(4-Nitroxylphenyl)pyrroles Journal of Organic Chemistry, 2006, 71, 9341-9347 |
| 4022161 | CIF | C16 H18 Br2 N4 O5 | P n a 21 | 16.0467; 10.571; 22.3993 90; 90; 90 | 3799.59 | Michael Zöllinger; Peter Mayer; Thomas Lindel Total Synthesis of the Cytostatic Marine Natural Product Dibromophakellstatin via Three-Component Imidazolidinone Anellation Journal of Organic Chemistry, 2006, 71, 9431-9439 |
| 4022236 | CIF | C42 H38 N2 O10 S2 | P n a 21 | 23.1491; 8.7724; 18.7677 90; 90; 90 | 3811.22 | Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides Journal of Organic Chemistry, 2002, 67, 7343-7354 |
| 4022243 | CIF | C46 H54 N10 O12 | P n a 21 | 10.7933; 26.35; 16.7931 90; 90; 90 | 4776.1 | Anxin Wu; Arindam Chakraborty; Dariusz Witt; Jason Lagona; Fehmi Damkaci; Marie A. Ofori; Jessica K. Chiles; James C. Fettinger; Lyle Isaacs Methylene-Bridged Glycoluril Dimers: Synthetic Methods Journal of Organic Chemistry, 2002, 67, 5817-5830 |
| 4022250 | CIF | C14 H14 O4 S | P n a 21 | 8.5477; 11.2039; 13.772 90; 90; 90 | 1318.91 | Wolfgang Pitsch; Michael Klein; Manfred Zabel; Burkhard König Synthesis and Structure of a Stabilized 10-Membered Cyclic Enediyne Journal of Organic Chemistry, 2002, 67, 6805-6807 |
| 4022271 | CIF | ? | P n a 21 | 8.354; 18.62; 6.798 89; 89; 90 | 1057 | Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates Journal of Organic Chemistry, 2002, 67, 8481-8488 |
| 4022304 | CIF | C44 H58 N2 O10 S2 | P n a 21 | 18.615; 7.5693; 28.852 90; 90; 90 | 4065.3 | Albert Padwa; M. Diana Danca; Kenneth I. Hardcastle; Michael S. McClure A Short Diastereoselective Synthesis of the Putative Alkaloid Jamtine, Using a Tandem Pummerer/Mannich Cyclization Sequence Journal of Organic Chemistry, 2003, 68, 929-941 |
| 4022372 | CIF | C24 H20 Co2 O7 | P n a 21 | 16.902; 15.406; 18.03 90; 90; 90 | 4695.1 | David R. Carbery; Serge Reignier; Neil D. Miller; Harry Adams; Joseph P. A. Harrity Investigation of a Stereoselective Co-Mediated Rearrangement Reaction Journal of Organic Chemistry, 2003, 68, 4392-4399 |
| 4022461 | CIF | C67 H84 N4 O2 Ru | P n a 21 | 19.208; 15.746; 19.587 90; 90; 90 | 5924 | Jason A. Miller; Edward J. Hennessy; Will J. Marshall; Mark A. Scialdone; SonBinh T. Nguyen trans-Cyclopropyl β-Amino Acid Derivatives via Asymmetric Cyclopropanation Using a (Salen)Ru(II) Catalyst Journal of Organic Chemistry, 2003, 68, 7884-7886 |
| 4022470 | CIF | C24 H30 N2 O4 | P n a 21 | 14.265; 17.596; 8.679 90; 90; 90 | 2178.4 | Brant Boren; Jennifer S. Hirschi; Joseph H. Reibenspies; Matthew D. Tallant; Daniel A. Singleton; Gary A. Sulikowski Exo-Selective Diels-Alder Reactions of Vinylazepines. Origin of Divergent Stereoselectivity in Diels-Alder Reactions of Vinylazepines, Vinylpiperideines, and Vinylcycloalkenes Journal of Organic Chemistry, 2003, 68, 8991-8995 |
| 4022553 | CIF | C21 H20 O2 | P n a 21 | 35.395; 5.984; 16.147 90; 90; 90 | 3420 | Andrea Cappelli; Gal.la Pericot Mohr; Maurizio Anzini; Salvatore Vomero; Alessandro Donati; Mario Casolaro; Raniero Mendichi; Gianluca Giorgi; Francesco Makovec Synthesis and Characterization of a New Benzofulvene Polymer Showing a Thermoreversible Polymerization Behavior Journal of Organic Chemistry, 2003, 68, 9473-9476 |
| 4022558 | CIF | C58 H65 I O5 | P n a 21 | 19.0333; 19.0258; 28.1843 90; 90; 90 | 10206.2 | Arjan W. Kleij; Beatriz Souto; César J. Pastor; Pilar Prados; Javier de Mendoza Unexpected Single-Step Formation of 1,2-anti-Heterodisubstituted Calix[4]arenes upon Alkylation of a Tribenzoyl Precursor Journal of Organic Chemistry, 2003, 68, 8711-8714 |
| 4022645 | CIF | C30 H38 N4 O2 | P n a 21 | 17.549; 6.9388; 21.924 90; 90; 90 | 2669.7 | Jonathan Clayden; Loïc Lemiègre; Madeleine Helliwell Synthesis and Stacked Conformations of Symmetrical and Unsymmetrical Oligo-ureas of Metaphenylenediamine Journal of Organic Chemistry, 2007, 72, 2302-2308 |
| 4022690 | CIF | C7 H6 Cl2 N2 O | P n a 21 | 8.0839; 13.697; 7.4042 90; 90; 90 | 819.8 | Jo Alen; Liliana Dobrzańska; Wim M. De Borggraeve; Frans Compernolle Synthesis of 2(1H)-Pyrazinone Phosphonates via an Arbuzov-type Reaction Journal of Organic Chemistry, 2007, 72, 1055-1057 |
| 4022797 | CIF | C17 H14 | P n a 21 | 16.262; 10.0367; 7.5255 90; 90; 90 | 1228.3 | Michael Schmittel; Atul A. Mahajan; Götz Bucher; Jan W. Bats Thermal C^2^-C^6^ Cyclization of Enyne-Allenes. Experimental Evidence for a Stepwise Mechanism and for an Unusual Thermal Silyl Shift Journal of Organic Chemistry, 2007, 72, 2166-2173 |
| 4022800 | CIF | C18 H39 N5 P | P n a 21 | 20.503; 11.297; 18.369 90; 90; 90 | 4254.6 | Jesudoss V. Kingston; John G. Verkade Synthesis and Characterization of R~2~PN=P(^i^BuNCH~2~CH~2~)~3~N: A New Bulky Electron-Rich Phosphine for Efficient Pd-Assisted Suzuki-Miyaura Cross-Coupling Reactions Journal of Organic Chemistry, 2007, 72, 2816-2822 |
| 4022897 | CIF | C20 H21 B N2 O6 | P n a 21 | 13.7068; 7.4595; 38.371 90; 90; 90 | 3923.3 | Alexander Oehlke; Alexander A. Auer; Ina Jahre; Bernhard Walfort; Tobias Rüffer; Petra Zoufalá; Heinrich Lang; Stefan Spange Nitro-Substituted Stilbeneboronate Pinacol Esters and Their Fluoro-Adducts. Fluoride Ion Induced Polarity Enhancement of Arylboronate Esters Journal of Organic Chemistry, 2007, 72, 4328-4339 |
| 4023042 | CIF | C21 H16 O | P n a 21 | 11.473; 16.216; 8.311 90; 90; 90 | 1546.2 | Yan-Chao Wu; Li Liu; Yu-Liang Liu; Dong Wang; Yong-Jun Chen TFA-Mediated Tandem Friedel-Crafts Alkylation/Cyclization/Hydrogen Transfer Process for the Synthesis of Flavylium Compounds Journal of Organic Chemistry, 2007, 72, 9383-9386 |
| 4023054 | CIF | C35 H30 N O P | P n a 21 | 39.056; 12.115; 11.669 90; 90; 90 | 5521.3 | Gloria Ruiz-Gómez; María José Iglesias; Manuel Serrano-Ruiz; Fernando López-Ortiz Dearomatizing Anionic Cyclization of N-Alkyl-N-benzyl(dinaphthyl)phosphinamides. A Facile Route to γ-(Amino)dihydronaphthalenylphosphinic Acids Journal of Organic Chemistry, 2007, 72, 9704-9712 |
| 4023095 | CIF | C24 H31 N O4 | P n a 21 | 19.9518; 12.7312; 8.8934 90; 90; 90 | 2259 | Anne-Marie L. Hogan; Donal F. O'Shea Carbolithiation of o-Amino-(E)-Stilbenes: Diastereoselective Electrophile Substitution with Applications to Quinoline Synthesis Journal of Organic Chemistry, 2007, 72, 9557-9571 |
| 4023127 | CIF | C12 H23 N O2 S | P n a 21 | 22.0101; 6.2216; 9.5931 90; 90; 90 | 1313.66 | David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines Journal of Organic Chemistry, 2007, 72, 10009-10021 |
| 4023140 | CIF | C16 H10 Cl I N2 Pt | P n a 21 | 8.169; 12.543; 14.364 90; 90; 90 | 1471.9 | Stéphane Diring; Pascal Retailleau; Raymond Ziessel A Rational Protocol for the Synthesis of Arylated Bipyridine Ligands via a Cycloaddition Pathway Journal of Organic Chemistry, 2007, 72, 10181-10193 |
| 4023166 | CIF | C8 H8 O4 | P n a 21 | 10.448; 6.5388; 10.263 90; 90; 90 | 701.1 | Yit Wooi Goh; Brett R. Pool; Jonathan M. White Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide Journal of Organic Chemistry, 2008, 73, 151-156 |
| 4023220 | CIF | C10 H14 O3 | P n a 21 | 12.024; 10.6931; 7.1249 90; 90; 90 | 916.1 | Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions Journal of Organic Chemistry, 2008, 73, 813-819 |
| 4023495 | CIF | C13 H20 Cl N5 O6 | P n a 21 | 11.5718; 15.192; 9.5817 90; 90; 90 | 1684.4 | Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles Journal of Organic Chemistry, 2008, 73, 4771-4782 |
| 4023554 | CIF | C18 H20 N2 O | P n a 21 | 15.618; 8.3232; 11.3913 90; 90; 90 | 1480.8 | Thong X. Nguyen; Yoshihisa Kobayashi Synthesis of the Common Propellane Core Structure of the Hasubanan Alkaloids Journal of Organic Chemistry, 2008, 73, 5536-5541 |
| 4023556 | CIF | C18 H12 O3 | P n a 21 | 10.5803; 23.761; 4.9298 90; 90; 90 | 1239.3 | Wen-Zhi Xu; Zhi-Tang Huang; Qi-Yu Zheng Synthesis of Benzo[c]xanthones from 2-Benzylidene-1-tetralones by the Ultraviolet Radiation-Mediated Tandem Reaction Journal of Organic Chemistry, 2008, 73, 5606-5608 |
| 4023675 | CIF | C127 H152 Cl7.5 O6 | P n a 21 | 36.414; 9.7931; 35.3214 90; 90; 90 | 12595.7 | Katerina Kogan; Ishay Columbus; Silvio E. Biali Functionalization of the Methylene Bridges of the Calix[6]arene Scaffold Journal of Organic Chemistry, 2008, 73, 7327-7335 |
| 4023692 | CIF | C23 H22 Cl2 Fe2 O10 | P n a 21 | 15.319; 6.623; 26.55 90; 90; 90 | 2694 | Rajesh K. Pandey; Lizhu Wang; Nathaniel J. Wallock; Sergey Lindeman; William A. Donaldson Reactivity of (2-Alkenyl-3-pentene-1,5-diyl)iron Complexes: Preparation of Functionalized Vinylcyclopropanes and Cycloheptadienes Journal of Organic Chemistry, 2008, 73, 7236-7245 |
| 4023721 | CIF | C17 H20 Br N O7 | P n a 21 | 16.5665; 5.8536; 35.113 90; 90; 90 | 3405.1 | Joshua G. Pierce; Dhanalakshmi Kasi; Makoto Fushimi; Anthony Cuzzupe; Peter Wipf Synthesis of Hydroxylated Bicyclic Amino Acids from L-Tyrosine: Octahydro-1H-indole Carboxylates Journal of Organic Chemistry, 2008, 73, 7807-7810 |
| 4023730 | CIF | C21 H17 I2 O P | P n a 21 | 19.0535; 9.9527; 10.6887 90; 90; 90 | 2026.9 | Hao Guo; Rong Qian; Yinlong Guo; Shengming Ma Neighboring Group Participation of Phosphine Oxide Functionality in the Highly Regio- and Stereoselective Iodohydroxylation of 1,2-Allenylic Diphenyl Phosphine Oxides Journal of Organic Chemistry, 2008, 73, 7934-7938 |
| 4023775 | CIF | C15 H27.33 N2 O1.67 S2 | P n a 21 | 34.451; 19.752; 7.442 90; 90; 90 | 5064 | Shamim Ahmed; Luke A. Baker; Richard S. Grainger; Paolo Innocenti; Camilo E. Quevedo Thermal Elimination of Diethyldithiocarbamates and Application in the Synthesis of (±)-Ferrugine Journal of Organic Chemistry, 2008, 73, 8116-8119 |
| 4023880 | CIF | C11 H13 N S | P n a 21 | 18.069; 5.9249; 9.399 90; 90; 90 | 1006.3 | Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides Journal of Organic Chemistry, 2008, 73, 9102-9108 |
| 4024010 | CIF | C18 H22 N O2 P | P n a 21 | 12.6281; 15.8244; 8.7576 90; 90; 90 | 1750 | Cédric Boudou; Matthieu Bergès; Charlène Sagnes; Jana Sopková-de Oliveira Santos; Stéphane Perrio; Patrick Metzner trans-(\±)-2-tert-Butyl-3-phenyloxaziridine: A Unique Reagent for the Oxidation of Thiolates into Sulfenates Journal of Organic Chemistry, 2007, 72, 5403-5406 |
| 4024039 | CIF | C11 H6 F5 N3 O2 | P n a 21 | 13.8073; 25.597; 14.0108 90; 90; 90 | 4951.8 | Ahmad Basheer; Hiroshi Yamataka; Salai Cheettu Ammal; Zvi Rappoport Enols of Substituted Cyanomalonamides Journal of Organic Chemistry, 2007, 72, 5297-5312 |
| 4024061 | CIF | C22 H17 B N4 | P n a 21 | 13.5897; 14.3599; 9.2557 90; 90; 90 | 1806.22 | Brendan J. Liddle; Rosalice M. Silva; Tyler J. Morin; Felipe P. Macedo; Ruchi Shukla; Sergey V. Lindeman; James R. Gardinier BORAZANs: Tunable Fluorophores Based on 2-(Pyrazolyl)aniline Chelates of Diphenylboron Journal of Organic Chemistry, 2007, 72, 5637-5646 |
| 4024119 | CIF | C13 H17 N O4 | P n a 21 | 11.139; 16.477; 7.087 90; 90; 90 | 1300.8 | Anjan Patel; Falk Liebner; Thomas Netscher; Kurt Mereiter; Thomas Rosenau Vitamin E Chemistry. Nitration of Non-α-tocopherols: Products and Mechanistic Considerations Journal of Organic Chemistry, 2007, 72, 6504-6512 |
| 4024241 | CIF | C22 H22 S6 Si2 | P n a 21 | 11.4964; 14.345; 15.846 90; 90; 90 | 2613.3 | Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene) Journal of Organic Chemistry, 2009, 74, 408-411 |
| 4024250 | CIF | C22 H20 N2 | P n a 21 | 17.9781; 15.641; 5.618 90; 90; 90 | 1579.8 | Chen Zhang; Sandip Murarka; Daniel Seidel Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process Journal of Organic Chemistry, 2009, 74, 419-422 |
| 4024404 | CIF | C32 H35 N3 O2 S | P n a 21 | 14.6346; 16.416; 11.7446 90; 90; 90 | 2821.5 | Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles Journal of Organic Chemistry, 2009, 74, 2357-2367 |
| 4024545 | CIF | C21 H19 F3 N2 O2 | P n a 21 | 15.3989; 5.6954; 21.6927 90; 90; 90 | 1902.5 | Mark J. Thompson; Harry Adams; Beining Chen Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries Journal of Organic Chemistry, 2009, 74, 3856-3865 |
| 4024676 | CIF | C8 H11 F2 N3 O | P n a 21 | 15.0815; 24.6147; 5.0146 90; 90; 90 | 1861.55 | Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine Journal of Organic Chemistry, 2009, 74, 5533-5540 |
| 4024705 | CIF | C11 H12 O2 | P n a 21 | 17.335; 7.6229; 13.737 90; 90; 90 | 1815.3 | N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes Journal of Organic Chemistry, 2009, 74, 5395-5404 |
| 4024761 | CIF | C18 H19 N O2 S | P n a 21 | 16.0987; 11.7489; 8.6722 90; 90; 90 | 1640.28 | Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine Journal of Organic Chemistry, 2009, 74, 5947-5952 |
| 4024838 | CIF | C31 H45 N O6 S Si | P n a 21 | 19.3855; 9.347; 17.3356 90; 90; 90 | 3141.1 | Nicholas M. Leonard; K. A. Woerpel Formation of Medium-Sized Nitrogen Heterocycles from γ-Silyloxy-γ-Lactams Journal of Organic Chemistry, 2009, 74, 6915-6923 |
| 4025005 | CIF | C70 H64 N2 O4 | P n a 21 | 19.6; 9.8101; 28.475 90; 90; 90 | 5475 | Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes Journal of Organic Chemistry, 2009, 74, 8566-8577 |
| 4025028 | CIF | C14 H13 Cl O4 | P n a 21 | 7.3779; 22.607; 7.9039 90; 90; 90 | 1318.31 | Ashraf Wilsily; Eric Fillion Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids Journal of Organic Chemistry, 2009, 74, 8583-8594 |
| 4025029 | CIF | C15 H16 O4 | P n a 21 | 12.6729; 17.6509; 5.9633 90; 90; 90 | 1333.92 | Ashraf Wilsily; Eric Fillion Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids Journal of Organic Chemistry, 2009, 74, 8583-8594 |
| 4025089 | CIF | C19 H26 N2 O3 | P n a 21 | 11.1535; 15.5488; 10.3661 90; 90; 90 | 1797.73 | David Marcoux; Sébastien R. Goudreau; André B. Charette trans-Directing Ability of the Amide Group: Enabling the Enantiocontrol in the Synthesis of 1,1-Dicarboxy Cyclopropanes. Reaction Development, Scope, and Synthetic Applications Journal of Organic Chemistry, 2009, 74, 8939-8955 |
| 4025098 | CIF | C23 H40 O4 | P n a 21 | 21.298; 10.326; 19.407 90; 90; 90 | 4268 | Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol Journal of Organic Chemistry, 2009, 74, 9337-9344 |
| 4025165 | CIF | C43 H32 | P n a 21 | 12.3269; 11.6835; 20.8753 90; 90; 90 | 3006.49 | Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes Journal of Organic Chemistry, 2010, 75, 399-406 |
| 4025166 | CIF | C44 H34 | P n a 21 | 12.3809; 11.7357; 21.3061 90; 90; 90 | 3095.74 | Eric Gagnon; Shira D. Halperin; Valérie Métivaud; Kenneth E. Maly; James D. Wuest Tampering with Molecular Cohesion in Crystals of Hexaphenylbenzenes Journal of Organic Chemistry, 2010, 75, 399-406 |
| 4025380 | CIF | C10 H6 Br N O2 S | P n a 21 | 26.215; 3.8912; 9.856 90; 90; 90 | 1005.4 | Cornelius J. O; Connor'; Mark D. Roydhouse; Anna M. Przybył; Michael D. Wall; J. Mike Southern Facile Synthesis of 3-Nitro-2-substituted Thiophenes Journal of Organic Chemistry, 2010, 75, 2534-2538 |
| 4025414 | CIF | C10 H5 Br Cl2 N2 | P n a 21 | 13.6345; 3.8144; 19.833 90; 90; 90 | 1031.46 | Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure Journal of Organic Chemistry, 2010, 75, 3224-3231 |
| 4025637 | CIF | C21 H23 N O3 S | P n a 21 | 28.657; 11.1553; 6.0182 90; 90; 90 | 1923.9 | Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols Journal of Organic Chemistry, 2010, 75, 6031-6034 |
| 4025639 | CIF | C20 H20 Br N O3 S | P n a 21 | 28.7069; 11.1373; 6.0181 90; 90; 90 | 1924.09 | Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols Journal of Organic Chemistry, 2010, 75, 6031-6034 |
| 4025651 | CIF | C23 H23 N O3 S | P n a 21 | 15.589; 5.704; 44.433 90; 90; 90 | 3951 | Andrei Poloukhtine; Valentin Rassadin; Alexander Kuzmin; Vladimir V. Popik Nucleophilic Cycloaromatization of Ynamide-Terminated Enediynes Journal of Organic Chemistry, 2010, 75, 5953-5962 |
| 4025653 | CIF | C9 H18 N2 O2 | P n a 21 | 9.9889; 11.4918; 9.6399 90; 90; 90 | 1106.57 | Dmytro S. Radchenko; Sergiy O. Pavlenko; Oleksandr O. Grygorenko; Dmitriy M. Volochnyuk; Svitlana V. Shishkina; Oleg V. Shishkin; Igor V. Komarov Cyclobutane-Derived Diamines: Synthesis and Molecular Structure Journal of Organic Chemistry, 2010, 75, 5941-5952 |
| 4025782 | CIF | C27 H33 N O5 S | P n a 21 | 12.417; 20.169; 9.799 90; 90; 90 | 2454 | Manas K. Ghorai; Sandipan Halder; Raj Kumar Das Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines Journal of Organic Chemistry, 2010, 75, 7061-7072 |
| 4026015 | CIF | C20 H26 O5 | P n a 21 | 20.663; 14.7908; 6.0694 90; 90; 90 | 1854.9 | Joseph J. Topczewski; John G. Kodet; David F. Wiemer Exploration of Cascade Cyclizations Terminated by Tandem Aromatic Substitution: Total Synthesis of (+)-Schweinfurthin A Journal of Organic Chemistry, 2011, 76, 909-919 |
| 4026064 | CIF | C20 H16 N2 O2 | P n a 21 | 17.9076; 7.1357; 11.9889 90; 90; 90 | 1532 | Yu Zhou; Jian Li; Xun Ji; Wei Zhou; Xu Zhang; Wangke Qian; Hualiang Jiang; Hong Liu Silver- and Gold-Mediated Domino Transformation: A Strategy for Synthesizing Benzo[e]indolo[1,2-a]pyrrolo/pyrido[2,1-c][1,4]diazepine-3,9-diones Journal of Organic Chemistry, 2011, 76, 1239-1249 |
| 4026079 | CIF | C23 H20 O3 | P n a 21 | 22.99; 11.5589; 6.2791 90; 90; 90 | 1668.6 | Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series Journal of Organic Chemistry, 2011, 76, 1319-1332 |
| 4026426 | CIF | C16 H14 | P n a 21 | 9.301; 18.549; 6.56 90; 90; 90 | 1131.8 | Xianlong Wang; Peter A. Beckmann; Clelia W. Mallory; Arnold L. Rheingold; Antonio G. DiPasquale; Patrick J. Carroll; Frank B. Mallory Intramolecular and Intermolecular Contributions to the Barriers for Rotation of Methyl Groups in Crystalline Solids: Electronic Structure Calculations and Solid-State NMR Relaxation Measurements Journal of Organic Chemistry, 2011, 76, 5170-5176 |
| 4026597 | CIF | C23 H26 N4 O5 | P n a 21 | 16.0264; 5.8; 22.8485 90; 90; 90 | 2123.84 | David J. Dibble; Joseph W. Ziller; K. A. Woerpel Spectroscopic and X-ray Crystallographic Evidence for Electrostatic Effects in 4-Substituted Cyclohexanone-Derived Hydrazones, Imines, and Corresponding Salts Journal of Organic Chemistry, 2011, 76, 7706-7719 |
| 4026634 | CIF | C13 H14 N2 O3 | P n a 21 | 13.6037; 11.6379; 7.3569 90; 90; 90 | 1164.73 | Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore Journal of Organic Chemistry, 2011, 76, 8189-8202 |
| 4026643 | CIF | C13 H10 N2 | P n a 21 | 15.86; 10.73; 5.8704 90; 90; 90 | 999 | James J. Mousseau; James A. Bull; Carolyn L. Ladd; Angélique Fortier; Daniela Sustac Roman; André B. Charette Synthesis of 2- and 2,3-Substituted Pyrazolo[1,5-a]pyridines: Scope and Mechanistic Considerations of a Domino Direct Alkynylation and Cyclization of N-Iminopyridinium Ylides Using Alkenyl Bromides, Alkenyl Iodides, and Alkynes Journal of Organic Chemistry, 2011, 76, 8243-8261 |
| 4026649 | CIF | C38 H41 N3 O | P n a 21 | 11.8018; 8.7725; 30.605 90; 90; 90 | 3168.6 | Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties Journal of Organic Chemistry, 2011, 76, 8300-8310 |
| 4026669 | CIF | C17 H14 N4 O2 | P n a 21 | 28.7457; 11.6165; 4.2085 90; 90; 90 | 1405.32 | Makhluf J. Haddadin; Mirna El-Khatib; Tharallah A. Shoker; Christine M. Beavers; Marilyn M. Olmstead; James C. Fettinger; Kelli M. Farber; Mark J. Kurth Quinoxalino[2,3-c]cinnolines and Their 5-N-Oxide: Alkoxylation of Methyl-Substituted Quinoxalino[2,3-c]cinnolines to Acetals and Orthoesters Journal of Organic Chemistry, 2011, 76, 8421-8427 |
| 4026820 | CIF | C28 H18 B F2 N3 S2 | P n a 21 | 10.776; 12.517; 17.465 90; 90; 90 | 2355.7 | Xinfu Zhang; Haibo Yu; Yi Xiao Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes Journal of Organic Chemistry, 2012, 77, 669-673 |
| 4026899 | CIF | C42.25 H63.5 Cl N4 O0.75 | P n a 21 | 17.9478; 20.838; 10.6397 90; 90; 90 | 3979.21 | Juraj Galeta; Milan Potáček Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges Journal of Organic Chemistry, 2012, 77, 1010-1017 |
| 4026943 | CIF | C24 H23 N O | P n a 21 | 22.266; 8.883; 9.3118 90; 90; 90 | 1841.8 | Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent Journal of Organic Chemistry, 2012, 77, 1701-1709 |
| 4027013 | CIF | C25.5 H16 B Cl N6 O3 S | P n a 21 | 20.0996; 11.4689; 19.5158 90; 90; 90 | 4498.8 | Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender Pseudohalides of Boron Subphthalocyanine Journal of Organic Chemistry, 2012, 77, 2531-2536 |
| 4027115 | CIF | C8 H12 Cl Cu N4 O4 | P n a 21 | 23.957; 8.3528; 20.444 90; 90; 90 | 4091 | Bo Yao; Zu-Li Wang; Hu Zhang; De-Xian Wang; Liang Zhao; Mei-Xiang Wang Cu(ClO4)2-Mediated Arene C-H Bond Halogenations of Azacalixaromatics Using Alkali Metal Halides as Halogen Sources Journal of Organic Chemistry, 2012, 77, 3336-3340 |
| 4027137 | CIF | C5 H3 Br O2 | P n a 21 | 10.664; 13.107; 3.9339 90; 90; 90 | 549.9 | Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions Journal of Organic Chemistry, 2012, 77, 3518-3523 |
| 4027229 | CIF | C22 H18 N4 S2 | P n a 21 | 9.2005; 12.503; 17.8158 90; 90; 90 | 2049.42 | Murali Mohan Guru; Tharmalingam Punniyamurthy Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation Journal of Organic Chemistry, 2012, 77, 5063-5073 |
| 4027250 | CIF | C24 H24 Cl O2 P | P n a 21 | 17.5578; 8.6412; 28.8289 90; 90; 90 | 4373.9 | K. V. Sajna; K. C. Kumara Swamy Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes Journal of Organic Chemistry, 2012, 77, 5345-5356 |
| 4027289 | CIF | C15 H10 Cl4 O3 | P n a 21 | 15.0317; 14.8962; 6.9832 90; 90; 90 | 1563.6 | Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes Journal of Organic Chemistry, 2012, 77, 5971-5981 |
| 4027342 | CIF | C8 H12 Cl Cu N4 O4 | P n a 21 | 23.9334; 8.3486; 20.4206 90; 90; 90 | 4080.2 | Wendy S. Brotherton; Ronald J. Clark; Lei Zhu Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion Journal of Organic Chemistry, 2012, 77, 6443-6455 |
| 4027424 | CIF | C H Cl N O | P n a 21 | 13.8598; 11.5756; 23.3102 90; 90; 90 | 3739.8 | Zhiguo Zhang; Shiliang Fang; Qingfeng Liu; Guisheng Zhang Approach to Polysubstituted 4-Pyridones from N-Aryl Acetoacetamides via a N to C1,3-Acyl Migration Mediated by Sodium Persulfate Journal of Organic Chemistry, 2012, 77, 7665-7670 |
| 4027460 | CIF | C19 H15 B F2 N2 S2 | P n a 21 | 15.1; 10.896; 10.787 90; 90; 90 | 1774.8 | Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties Journal of Organic Chemistry, 2012, 77, 7512-7525 |
| 4027469 | CIF | C24 H22 N4 O2 S | P n a 21 | 21.1724; 13.2827; 7.0396 90; 90; 90 | 1979.72 | Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties Journal of Organic Chemistry, 2012, 77, 7595-7606 |
| 4027516 | CIF | C16 H22 N3 O | P n a 21 | 9.2386; 24.0533; 6.5901 90; 90; 90 | 1464.4 | Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time Journal of Organic Chemistry, 2012, 77, 8016-8027 |
| 4027570 | CIF | C14 H22 N O5 P | P n a 21 | 22.0358; 6.0237; 24.783 90; 90; 90 | 3289.6 | K. V. Sajna; K. C. Kumara Swamy Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles Journal of Organic Chemistry, 2012, 77, 8712-8722 |
| 4027654 | CIF | C89.5 H126.5 F6.5 N O17.25 | P n a 21 | 23.01; 18.23; 22 90; 90; 90 | 9228.39 | Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation Journal of Organic Chemistry, 2012, 77, 9668-9675 |
| 4027954 | CIF | C20 H17 N O | P n a 21 | 18.6617; 5.4269; 29.7664 90; 90; 90 | 3014.6 | Rivka R. R. Taylor; Robert A. Batey A Hetero Diels-Alder Approach to the Synthesis of Chromans (3,4-Dihydrobenzopyrans) Using Oxonium Ion Chemistry: The Oxa-Povarov Reaction Journal of Organic Chemistry, 2013, 78, 1404-1420 |
| 4027978 | CIF | C17 H21 N O | P n a 21 | 29.2377; 8.1211; 5.9432 90; 90; 90 | 1411.17 | Amy M. Green; Hannah R. Naughton; Zachariah B. Nealy; Robert D. Pike; Christopher J. Abelt Carbonyl-Twisted 6-Acyl-2-dialkylaminonaphthalenes as Solvent Acidity Sensors Journal of Organic Chemistry, 2013, 78, 1784-1789 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!