Crystallography Open Database
Search results
Result: there are 113 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 | archive of CIF files (ZIP)
Searching journal of publication like 'IUCrData' volume of publication is 5
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1557175 | CIF HKL Paper | C16 H21 N3 O4 | P -1 | 8.127; 8.411; 12.536 105.36; 96.52; 94.77 | 815.2 | Yoo, Miri; Koh, Dongsoo Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate IUCrData, 2020, 5, x200034 |
| 1557176 | CIF HKL Paper | C25 H22 N2 O2 Se | P 1 21/c 1 | 13.209; 6.343; 27.08 90; 103.356; 90 | 2207.5 | Morris, LaQuze L.; Alvarado, Clarisa A.; Goncalves, Julia M.; Singh, Ravi P.; Lovely, Carl J.; Yousufuddin, Muhammed [4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide IUCrData, 2020, 5, x200078 |
| 1557177 | CIF HKL Paper | C40 H74 Co N8 S4 | P -1 | 7.484; 8.587; 18.523 83.782; 81.868; 71.189 | 1113 | Giltzau, Niels Ole; Köckerling, Martin Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II) IUCrData, 2020, 5, x200023 |
| 1557178 | CIF HKL Paper | C18 H17 F O5 | P 1 21/c 1 | 15.5801; 8.3414; 12.1298 90; 97.086; 90 | 1564.35 | Yoo, Miri; Koh, Dongsoo (<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one IUCrData, 2020, 5, x200071 |
| 1557208 | CIF HKL Paper | C20 H24 N2 O6 S2 | C 1 2/c 1 | 29.1537; 8.8739; 19.9919 90; 123.621; 90 | 4306.9 | Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R. Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate) IUCrData, 2020, 5, x200100 |
| 1557209 | CIF HKL Paper | Br Cs F4 | I m m m | 5.5075; 6.789; 12.2572 90; 90; 90 | 458.3 | Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction data IUCrData, 2020, 5, x200114 |
| 1557210 | CIF HKL Paper | C19 H13 I O2 | P 1 21/n 1 | 7.0481; 18.2185; 12.6391 90; 104.947; 90 | 1568.02 | Dean, Raven; Miller, Chelsea N.; Zingales, Sarah K.; Padgett, Clifford W. 3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one IUCrData, 2020, 5, x200110 |
| 1557252 | CIF HKL Paper | C29 H23 Cl N2 O | P 1 21/n 1 | 9.0627; 10.7595; 24.4636 90; 100.599; 90 | 2344.7 | Shraddha, K. N.; Devika, S.; Begum, Noor Shahina 4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol IUCrData, 2020, 5, x191690 |
| 1557264 | CIF HKL Paper | C14 H27 F6 N O11 S2 | P 1 21 1 | 8.8341; 24.3932; 11.6111 90; 108.086; 90 | 2378.47 | Kitada, Atsushi; Funasako, Yusuke; Matsumoto, Kazuhiko; Hagiwara, Rika; Inokuchi, Makoto; Fukami, Kazuhiro; Murase, Kuniaki Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1) IUCrData, 2020, 5, x200162 |
| 1557302 | CIF HKL Paper | C20 H18 N4 O2 | P b c a | 8.7438; 18.7561; 20.8005 90; 90; 90 | 3411.27 | Powell, Gregory L.; Rix, Brad A. 5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one IUCrData, 2020, 5, x200121 |
| 1557303 | CIF HKL Paper | C5 H20 Cs2 Mg4 O25 | P 1 21/n 1 | 9.1617; 19.233; 13.0065 90; 91.136; 90 | 2291.4 | Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang Dicaesium tetramagnesium pentakis(carbonate) decahydrate, Cs2Mg4(CO3)5·10H2O IUCrData, 2020, 5 |
| 1557304 | CIF HKL Paper | C11 H10 N2 O2 S2 | P 1 21 1 | 4.1658; 10.4706; 12.7624 90; 95.958; 90 | 553.67 | Siegel, David J.; Howarth, Alexis N.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan 2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide) IUCrData, 2020, 5, x200171 |
| 1557305 | CIF HKL Paper | C21 H20 Br N O4 S | P 41 | 11.076; 11.076; 16.478 90; 90; 90 | 2021.5 | Soundararajan, Krishnan; Sethuraman, Velusamy; Thanigaimani, Kaliyaperumal (3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate IUCrData, 2020, 5, x200143 |
| 1557306 | CIF HKL Paper | C21 H39 N S2 | P 1 21 1 | 5.5457; 9.1108; 43.511 90; 90.376; 90 | 2198.4 | Muller II, Joseph E.; Osborn, Laura R.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan 2-(Octadecylsulfanyl)-1,3-thiazole IUCrData, 2020, 5, x200170 |
| 1557320 | CIF Paper | C16 H9 N3 O2 S2 | P 1 21 1 | 9.6598; 7.4249; 11.2457 90; 109.745; 90 | 759.15 | de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy 5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline IUCrData, 2020, 5, x200196 |
| 1557321 | CIF HKL Paper | C16 H9 N3 O2 S2 | P 1 21/c 1 | 11.7649; 5.3386; 24.3536 90; 105.61; 90 | 1473.18 | de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy 6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline IUCrData, 2020, 5, x200203 |
| 1557368 | CIF HKL Paper | C24 H20 O2 | P 1 21/n 1 | 21.55; 6.0366; 27.4915 90; 92.111; 90 | 3573.9 | Manickam, R.; Jagadeesan, G.; Karunakaran, J.; Srinivasan, G. 1,4-Bis(4-methoxyphenyl)naphthalene IUCrData, 2020, 5, x200212 |
| 1557369 | CIF HKL Paper | C13 H16 N2 O3 S | P 1 21/n 1 | 14.6392; 5.7111; 17.5295 90; 102.349; 90 | 1431.66 | Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R. 2-Aminoanilinium 4-methylbenzenesulfonate IUCrData, 2020, 5, x200230 |
| 1557370 | CIF HKL Paper | C26 H34 O4 Si2 | P 1 21/c 1 | 10.2628; 20.5653; 13.3923 90; 111.638; 90 | 2627.4 | Weil, Matthias; Kremsmayr, Thomas; Mihovilovic, Marko D. 6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one IUCrData, 2020, 5, x200224 |
| 1557413 | CIF HKL Paper | C11 H14 N2 O4 | P 1 21/c 1 | 13.949; 4.9891; 17.3647 90; 105.693; 90 | 1163.42 | Doboszewski, Bogdan; Nazarenko, Alexander Y.; Soares, Fábio da Paixão 1,3-Bis(2-oxopropyl)thymine IUCrData, 2020, 5, x200257 |
| 1557414 | CIF HKL Paper | C25 H19 N O7 | P 1 21/c 1 | 14.7455; 11.9504; 11.9649 90; 101.898; 90 | 2063.1 | Lough, Alan J.; Ho, Angel; Tam, William [(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate IUCrData, 2020, 5, x200265 |
| 1557436 | CIF HKL Paper | C30 H46 Br4 Mn N4 | P b c a | 18.02; 18.742; 19.74 90; 90; 90 | 6666.8 | Giltzau, Niels Ole; Köckerling, Martin Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II) IUCrData, 2020, 5 |
| 1557516 | CIF HKL Paper | C14 H14 O | P 1 21/c 1 | 9.4559; 12.8405; 8.9638 90; 111.445; 90 | 1013.02 | Lough, Alan J.; Pounder, Austin; Wicks, Christopher; Tam, William 1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine IUCrData, 2020, 5, x200288 |
| 1557517 | CIF HKL Paper | C32 H24 | P 1 21/c 1 | 9.3106; 8.7232; 13.4776 90; 91.959; 90 | 1093.99 | Detert, Heiner; Jacobs, Nina; Schollmeyer, Dieter The head-to-head photodimer of indenoindene IUCrData, 2020, 5, x200307 |
| 1557518 | CIF HKL Paper | C19 H16 O | P b c a | 9.4802; 14.9824; 18.6565 90; 90; 90 | 2649.9 | Lough, Alan J.; Pounder, Austin; Tam, William 12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene IUCrData, 2020, 5, x200286 |
| 1557519 | CIF HKL Paper | C27 H33 N7 O3 | P m n 21 | 16.7781; 16.3902; 4.7894 90; 90; 90 | 1317.1 | Anzaldo-Olivares, Bertin; Arroyo, Maribel; Ramírez-Monroy, Armando; Bernès, Sylvain Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate IUCrData, 2020, 5, x200281 |
| 1557573 | CIF HKL Paper | C19 H18 O2 | P 1 21/c 1 | 12.2712; 11.2934; 10.8984 90; 112.565; 90 | 1394.71 | Lough, Alan J.; Koh, Samuel; Tam, William 12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol IUCrData, 2020, 5, x200315 |
| 1557611 | CIF HKL Paper | C59 H90 N9 O10 S | P 21 21 21 | 9.942; 22.986; 26.512 90; 90; 90 | 6059 | Purdy, Sarah Kendra; Spasyuk, Denis; Chitanda, Jackson Mulenga; Reaney, Martin J. T. [1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate IUCrData, 2020, 5, x200318 |
| 1557612 | CIF HKL Paper | C17 H14 N2 O S | C 1 c 1 | 9.434; 17.134; 8.826 90; 105.01; 90 | 1378 | Tojiboev, Akmal; Nasrullaev, Azizbek; Turgunov, Kambarali; Elmuradov, Burkhan; Tashkhodjaev, Bakhodir (<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione IUCrData, 2020, 5 |
| 1557619 | CIF HKL Paper | C14 H11 Cl N2 O2 S | P -1 | 7.2285; 7.2385; 13.7586 102.192; 99.616; 104.149 | 663.91 | Narayan, Easha; Fu, Liangfeng; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P. 7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine IUCrData, 2020, 5 |
| 1557620 | CIF HKL Paper | C30 H22 N4 | P 1 21/c 1 | 7.0953; 8.931; 18.219 90; 95.49; 90 | 1149.2 | Detert, Heiner; Jochem, Matthias; Schollmeyer, Dieter 2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine IUCrData, 2020, 5 |
| 1557683 | CIF HKL Paper | C10 H13 N5 | P 1 21/c 1 | 10.7335; 12.4005; 7.9206 90; 93.654; 90 | 1052.09 | Bhat, Radhika; Shraddha, K. N.; Begum, Noor Shahina 4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile IUCrData, 2020, 5 |
| 1557697 | CIF HKL Paper | C26 H22 O6 | P 1 21/c 1 | 6.1631; 19.253; 18.0743 90; 96.83; 90 | 2129.4 | Lesley, Melvin J. G.; Ozhan, Koray; Sung, Herman H.-Y.; Williams, Ian D. Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate IUCrData, 2020, 5, x200417 |
| 1557751 | CIF HKL Paper | C66 H94 N7 O18 V7 | P 1 21/c 1 | 14.6285; 29.9816; 20.5191 90; 94.548; 90 | 8971 | Kodama, Shintaro; Kondo, Shota; Nomoto, Akihiro; Ogawa, Akiya Tris(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine)(<i>trans</i>-4-<i>tert</i>-butylcyclohexanolato)deca-μ-oxido-heptaoxidoheptavanadium acetonitrile monosolvate including another unknown solvent molecule IUCrData, 2020, 5, x200449 |
| 1557752 | CIF HKL | C12 H16 Cu2 I2 N2 S4 | P 1 21/c 1 | 8.7612; 13.1852; 16.4458 90; 94.4; 90 | 1894.2 | Assoumatine, Tokouré; Stoeckli-Evans, Helen Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]: a two-dimensional copper(I) coordination polymer IUCrData, 2020, 5, x200467 |
| 1557753 | CIF HKL Paper | C6 H6 F8 O4 | P 1 21 1 | 5.3009; 8.625; 10.6976 90; 91.146; 90 | 489 | Feightner, Kylie; Powell, Douglas R.; Burba, Christopher M. 2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol IUCrData, 2020, 5, x200445 |
| 1557817 | CIF HKL Paper | C17 H22 N2 O | P 1 21/n 1 | 6.1444; 12.8514; 19.3315 90; 91.626; 90 | 1525.9 | Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R. 5-MeO-DALT: the freebase of N,N-diallyl-5-methoxytryptamine IUCrData, 2020, 5 |
| 1557847 | CIF HKL Paper | C20 H21 N O | C 1 2/c 1 | 16.7588; 23.4597; 8.7769 90; 98.771; 90 | 3410.34 | Manjula, V.; Venkateswaramoorthi, R.; Dharmaraja, J.; Selvanayagam, S. 2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one IUCrData, 2020, 5, x200526 |
| 1557980 | CIF HKL Paper | C16 H16 N2 | I -4 | 13.93535; 13.93535; 13.1629 90; 90; 90 | 2556.16 | Crundwell, Guy; Leeds, Ashley 2,3-Diethylbenzo[<i>g</i>]quinoxaline IUCrData, 2020, 5, x200454 |
| 1557981 | CIF | C52 H40 N2 | P -1 | 6.383; 12.498; 12.814 68.718; 86.988; 81.397 | 942 | Zhang, Yang; Yu, Fan; Li, Pei; Xu, Mengli; Xu, Guoyong; Li, Weimin; Wang, Fuzhou 2,4,6-Triphenyl-<i>N</i>-{(3<i>E</i>)-3-[(2,4,6-triphenylphenyl)imino]butan-2-ylidene}aniline IUCrData, 2020, 5, x200531 |
| 1558035 | CIF HKL Paper | C11 H11 N O5 | P -1 | 4.8774; 9.47; 12.719 106.784; 97.222; 92.444 | 556.1 | Yu, MingChao; Wang, LinLin; Wang, LingYang; Wu, ZhiYong 2-(2-Ethoxy-2-oxoacetamido)benzoic acid IUCrData, 2020, 5, x200603 |
| 1558091 | CIF HKL Paper | C5 H9 Cl N2 | P 21 21 21 | 6.3076; 9.549; 11.3951 90; 90; 90 | 686.34 | Anderson, Grace; Mirjafari, Arsalan; Zeller, Matthias; Hillesheim, Patrick C. 2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride IUCrData, 2020, 5, x200660 |
| 1558159 | CIF HKL Paper | C25 H18 Cl F2 N5 S | P 1 21/c 1 | 16.9376; 13.144; 10.6399 90; 92.891; 90 | 2365.72 | Alanazi, Saud A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A. 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-5-[(4-fluorophenyl)diazenyl]-4-methylthiazole IUCrData, 2020, 5, x200700 |
| 1558160 | CIF HKL Paper | C16 H22 N4 O3 S | P 1 21/n 1 | 10.882; 8.4029; 18.9678 90; 95.44; 90 | 1726.61 | Cyr, Noah; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan 2,3-Dimethyl-1<i>H</i>-imidazol-3-ium benzenesulfonate‒1,2-dimethyl-1<i>H</i>-imidazole co-crystal IUCrData, 2020, 5, x200689 |
| 1558161 | CIF Paper | C12 H22 N2 O3 S | P 1 n 1 | 10.2564; 6.5369; 10.9683 90; 95.067; 90 | 732.5 | Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François Dipropylammonium 4-aminobenzenesulfonate IUCrData, 2020, 5, x200659 |
| 1558281 | CIF HKL Paper | C11 H13 Br N2 | P b c a | 10.907; 18.8993; 21.6608 90; 90; 90 | 4465 | Peppel, Tim; Wulf, Christoph; Spannenberg, Anke 1-Benzyl-3-methylimidazolium bromide IUCrData, 2020, 5 |
| 1558316 | CIF HKL Paper | C18 H16 O3 | P 1 21/c 1 | 7.7611; 7.2894; 24.0331 90; 93.5573; 90 | 1357.02 | Encarnacion-Thomas, Elvia; Sommer, Roger D.; Mallia, Ajay; Sloop, Joseph (<i>E</i>)-2-(3,5-Dimethoxybenzylidene)indan-1-one IUCrData, 2020, 5, x200759 |
| 1558329 | CIF HKL Paper | C23 H34 Cl3 N O12 | P 1 | 5.5734; 9.2537; 14.2547 91.995; 99.103; 95.567 | 721.56 | Amaro Hernández, Aldo Guillermo; Rodríguez Tzompantzi, Tomasa; Dávila García, Álvaro; Meza-León, Rosa Luisa; Bernès, Sylvain Ethyl (3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-3-{(3<i>S</i>)-3-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-hydroxy-2,2-dimethyltetrahydrofuro[4,5-<i>d</i>][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propanoate chloroform monosolvate IUCrData, 2020, 5, x200788 |
| 1558330 | CIF HKL Paper | C28 H28 O6 | P 1 21/c 1 | 9.9641; 10.2338; 23.541 90; 100.086; 90 | 2363.4 | Yoo, Miri; Koh, Dongsoo (<i>E</i>)-3-{4,6-Dimethoxy-2-[(<i>E</i>)-4-methoxystyryl]-3-methylphenyl}-1-(2-hydroxy-5-methoxyphenyl)prop-2-en-1-one IUCrData, 2020, 5, x200792 |
| 1558379 | CIF HKL Paper | C48 H40 Co2 N8 O20 | P -1 | 7.2747; 10.4927; 16.356 97.735; 102.84; 102.607 | 1165.71 | Srinivasan, Bikshandarkoil R.; Harmalkar, Sarvesh S.; D'Souza, Luann R.; Dhuri, Sunder N. Di-μ-aqua-bis[aqua(2,2′-bipyridine)(4-nitrobenzoato)cobalt(II)] bis(4-nitrobenzoate) IUCrData, 2020, 5 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!