Crystallography Open Database
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Searching year of publication is 2022
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2244077 | CIF HKL Paper | C17 H21 N3 O6 | P -1 | 9.636; 10.301; 10.867 103.9; 108.32; 112.96 | 857.8 | Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts Acta Crystallographica Section E, 2022, 78 |
| 2244078 | CIF HKL Paper | C18 H23 N3 O5 | P -1 | 6.1136; 7.6965; 19.708 79.577; 87.162; 86.699 | 909.79 | Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts Acta Crystallographica Section E, 2022, 78 |
| 2244079 | CIF HKL Paper | C36 H44 N6 O11 | P 1 21/c 1 | 15.808; 7.5198; 31.02 90; 92.561; 90 | 3683.8 | Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts Acta Crystallographica Section E, 2022, 78 |
| 2244080 | CIF HKL Paper | C19 H23 N3 O5 | P -1 | 7.874; 9.263; 27.996 81.03; 85.675; 68.229 | 1872.8 | Mahesha, Ninganayaka; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago Crystal structures of six 4-(4-nitrophenyl)piperazin-1-ium salts Acta Crystallographica Section E, 2022, 78 |
| 2244081 | CIF HKL Paper | C14 H12 Br Cu N4 S2 | P 1 21/c 1 | 4.1549; 28.708; 13.2735 90; 95.564; 90 | 1575.8 | Chooto, Pipat; Saithong, Saowanit; Aemaeg, Weena; Vataporn, Siriwan; Pakawatchai, Chaveng; Innuphat, Chalermpol; Duangthong, Supunnee; Puetpaiboon, Walailak Syntheses, crystal structures and Hirshfeld surface analyses of bis(2-mercaptobenzimidazole)bromo- and iodocopper(I) complexes Acta Crystallographica Section E, 2022, 78 |
| 2244082 | CIF HKL Paper | C17 H18 Cu I N4 O S2 | P 1 21/c 1 | 4.5154; 22.2157; 20.4062 90; 94.818; 90 | 2039.8 | Chooto, Pipat; Saithong, Saowanit; Aemaeg, Weena; Vataporn, Siriwan; Pakawatchai, Chaveng; Innuphat, Chalermpol; Duangthong, Supunnee; Puetpaiboon, Walailak Syntheses, crystal structures and Hirshfeld surface analyses of bis(2-mercaptobenzimidazole)bromo- and iodocopper(I) complexes Acta Crystallographica Section E, 2022, 78 |
| 2244083 | CIF HKL Paper | C32 H56 N2 O3 | P 1 21/c 1 | 13.06508; 5.81242; 41.7384 90; 93.3315; 90 | 3164.25 | Khalilov, Ali N.; Khrustalev, Victor N.; Tereshina, Tatiana A.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 1-(<i>tert</i>-butylamino)-3-mesitylpropan-2-ol hemihydrate Acta Crystallographica Section E, 2022, 78, 525-529 |
| 2244084 | CIF HKL Paper | C14 H8 Br2 F N3 O2 | P 1 21/c 1 | 16.0658; 7.0329; 12.7934 90; 96.847; 90 | 1435.21 | Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dibromo-1-(4-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene Acta Crystallographica Section E, 2022, 78, 530-535 |
| 2244085 | CIF HKL Paper | C10 H9 Eu O7 | C 1 2/c 1 | 26.5184; 7.2632; 15.3622 90; 130.906; 90 | 2236.3 | Jittipiboonwat, Prakottakarn; Chuasaard, Thammanoon; Rujiwatra, Apinpus Crystal structure and photoluminescent properties of a new Eu^III^–phthalate–acetate coordination polymer Acta Crystallographica Section E, 2022, 78, 536-539 |
| 2244086 | CIF HKL Paper | C11 H15 N2 O4 P | P b c a | 13.229; 10.5551; 17.8346 90; 90; 90 | 2490.3 | Naeem, Marilyn; Sherwood, Alexander M.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. The crystal structure of baeocystin Acta Crystallographica Section E, 2022, 78 |
| 2244087 | CIF HKL Paper | C20 H23 Br N6 O3 S2 | P 1 21/c 1 | 10.394; 26.2421; 8.986 90; 108.056; 90 | 2330.32 | Naghiyev, Farid N.; Khrustalev, Victor N.; Novikov, Anton P.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, Ibrahim G. Crystal structure and Hirshfeld surface analysis of 5-amino-5'-bromo-2'-oxo-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indoline]-6,8-dicarbonitrile dimethyl sulfoxide disolvate Acta Crystallographica Section E, 2022, 78 |
| 2244088 | CIF HKL Paper | C12 H14 N4 O9 S | P 1 21/c 1 | 8.7055; 25.9927; 13.6479 90; 91.864; 90 | 3086.6 | Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Perdih, Franc; Jegan Jennifer, Samson; Abdul Razak, Ibrahim Crystal structures and Hirshfeld surface analyses of hypoxanthine salts involving 5-sulfosalicylate and perchlorate anions Acta Crystallographica Section E, 2022, 78 |
| 2244089 | CIF HKL Paper | C5 H7 Cl N4 O6 | P 1 21/c 1 | 5.0307; 20.386; 9.0181 90; 94.233; 90 | 922.34 | Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Perdih, Franc; Jegan Jennifer, Samson; Abdul Razak, Ibrahim Crystal structures and Hirshfeld surface analyses of hypoxanthine salts involving 5-sulfosalicylate and perchlorate anions Acta Crystallographica Section E, 2022, 78 |
| 2244090 | CIF HKL Paper | C30 H19 N O | P 1 21/n 1 | 15.835; 7.0408; 37.245 90; 96.464; 90 | 4126.1 | Hsiao, Huan-Chang; Chen, Pei-Lin; Chuang, Shih-Ching Crystal structure and fluorescence of 1-[8-phenyl-9-(phenylethynyl)-4<i>H</i>-benzo[<i>def</i>]carbazol-4-yl]ethan-1-one Acta Crystallographica Section E, 2022, 78 |
| 2244091 | CIF HKL Paper | La Te1.9 | P 42/n :2 | 10.1072; 10.1072; 18.2874 90; 90; 90 | 1868.16 | Poddig, Hagen; Doert, Thomas LaTe~1.9~: a tenfold superstructure of the ZrSSi type Acta Crystallographica Section E, 2022, 78 |
| 2244092 | CIF HKL Paper | C32 H28 N2 O4 | P 1 21/c 1 | 13.9798; 11.8411; 15.7406 90; 91.901; 90 | 2604.21 | Naghiyev, Farid N.; Khrustalev, Victor N.; Dobrokhotova, Ekaterina V.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenylbutan-2-yl)-2-hydroxy-2-methyl-4-phenylcyclohexane-1,1-dicarbonitrile Acta Crystallographica Section E, 2022, 78 |
| 2244093 | CIF HKL Paper | C12 H12 O3 | P 1 21/c 1 | 15.5987; 13.0782; 11.0396 90; 109.063; 90 | 2128.6 | Assila, Hamza; Zaoui, Younes; Ameziane El Hassani, Issam; El Ghammarti, Samira; Mague, Joel T.; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-benzylidene-4-oxopentanoic acid Acta Crystallographica Section E, 2022, 78 |
| 2244094 | CIF HKL Paper | C30 H48 N4 O2 | P 1 2/c 1 | 11.4741; 7.677; 17.2226 90; 108.166; 90 | 1441.5 | Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael First hydrogen-bonded adduct of sterically hindered 2-<i>tert</i>-butyl-4-methylphenol (TBMP) with 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane (TATD) <i>via</i> coupling of classical hydrogen bonds and C—H···π non-covalent interactions Acta Crystallographica Section E, 2022, 78 |
| 2244095 | CIF HKL Paper | C21 H22 N2 O3 S | I 1 a 1 | 10.7979; 10.2238; 17.7316 90; 100.526; 90 | 1924.55 | Khrustalev, Victor N.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Kolesnik, Irina A.; Potkin, Vladimir I.; Mlowe, Sixberth Crystal structure and Hirshfeld surface analysis of <i>N</i>-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl}-1-phenyl-<i>N</i>-(prop-2-en-1-yl)methanesulfonamide Acta Crystallographica Section E, 2022, 78 |
| 2244096 | CIF HKL Paper | C26 H29 Br N2 O | P 1 21 1 | 11.2574; 8.8445; 11.9039 90; 110.126; 90 | 1112.85 | Janzen, Daron E.; Butler, Maya S.; Reinheimer, Eric W. Crystal structures of anhydrous and hydrated <i>N</i>-benzylcinchonidinium bromide Acta Crystallographica Section E, 2022, 78 |
| 2244097 | CIF HKL Paper | C26 H32 Br N2 O2.5 | P 41 21 2 | 9.9254; 9.9254; 47.1267 90; 90; 90 | 4642.62 | Janzen, Daron E.; Butler, Maya S.; Reinheimer, Eric W. Crystal structures of anhydrous and hydrated <i>N</i>-benzylcinchonidinium bromide Acta Crystallographica Section E, 2022, 78 |
| 2244098 | CIF HKL Paper | C19 H20 Cl2 N2 Pd S | P -1 | 9.2135; 9.406; 12.9032 79.866; 70; 67.753 | 971.17 | Butcher, Ray J.; Singh, Puspendra; Shabbani, Gulam Dichlorido(4-methylaniline-κ<i>N</i>)[<i>N</i>-(4-methylphenyl)-1-(thiophen-2-yl)methanimine-κ<i>N</i>]palladium(II) Acta Crystallographica Section E, 2022, 78, 1 |
| 2244099 | CIF HKL Paper | C17 H20 O4 | P 21 21 21 | 6.7641; 6.9254; 31.4538 90; 90; 90 | 1473.42 | Lu, Qiang-Qiang; Shi, Xin-Wei; Zhou, Ya-Fu; Cui, Xin-Ai; Wang, Hong Crystal structure and Hirshfeld analysis of (1a<i>S</i>,3a<i>R</i>,4a<i>S</i>,5a<i>R</i>)-15-acetoxylinden-7(11),8-trieno-12,8-lactone Acta Crystallographica Section E, 2022, 78, 1 |
| 2244100 | CIF HKL Paper | C5 H7 Br N4 O2 | P 1 21/c 1 | 4.8487; 18.4455; 9.0782 90; 94.808; 90 | 809.07 | Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Dhivya, Durairaj; Jegan Jennifer, Samson; Abdul Razak, Ibrahim A study of the crystal structures, supramolecular patterns and Hirshfeld surfaces of bromide salts of hypoxanthine and xanthine Acta Crystallographica Section E, 2022, 78 |
| 2244101 | CIF HKL Paper | C5 H7 Br N4 O3 | P 1 21/c 1 | 4.9225; 22.7572; 7.5601 90; 103.003; 90 | 825.18 | Sathya, Udhayasuriyan; Nirmalram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Dhivya, Durairaj; Jegan Jennifer, Samson; Abdul Razak, Ibrahim A study of the crystal structures, supramolecular patterns and Hirshfeld surfaces of bromide salts of hypoxanthine and xanthine Acta Crystallographica Section E, 2022, 78 |
| 2244102 | CIF HKL Paper | C22 H20 N2 O2 | C 1 2/c 1 | 25.3144; 9.25765; 15.6778 90; 97.8724; 90 | 3639.49 | Hebishy, Ali M. S.; Elgemeie, Galal H.; Ali, Rasha A. E.; Jones, Peter G. Crystal structure of 2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-4-(naphthalen-2-yl)-5-oxo-4<i>H</i>-chromene-3-carbonitrile Acta Crystallographica Section E, 2022, 78 |
| 2244103 | CIF HKL Paper | C23 H16 N6 O3 | P 1 21/c 1 | 12.0085; 12.4719; 15.4909 90; 94.489; 90 | 2312.94 | Naghiyev, Farid N.; Khrustalev, Victor N.; Fortalnova, Elena A.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of methyl 4'-amino-3',5'-dicyano-2,2''-dioxodispiro[indoline-3,1'-cyclopentane-2',3''-indolin]-3'-ene-5'-carboximidate with an unknown solvent Acta Crystallographica Section E, 2022, 78 |
| 2244104 | CIF HKL Paper | C14 H26 Ni O14 | P b c a | 11.0812; 7.63258; 23.7986 90; 90; 90 | 2012.84 | Ruzmetov, Abror; Ibragimov, Aziz; Ashurov, Jamshid; Boltaeva, Zebo; Ibragimov, Bakhtiyar; Usmanov, Sultan Synthesis, crystal structure and Hirshfeld surface analysis of hexaaquanickel(II) bis(4-hydroxybenzoate) dihydrate Acta Crystallographica Section E, 2022, 78 |
| 2244105 | CIF HKL Paper | C4 H9 N7 O6 | P 1 21/c 1 | 7.865; 9.9173; 12.2291 90; 100.836; 90 | 936.86 | Dilshad, Sumra; Çınar, Emine Berrin; Ali, Arif; Ahmed, Adeeba; Alam, Mohd Jane; Ahmad, Musheer; Ahmad, Aiman; Dege, Necmi; Saif, Eiad Crystal structure and Hirshfeld surface analysis of 2,4,6-triaminopyrimidine-1,3-diium dinitrate Acta Crystallographica Section E, 2022, 78 |
| 2244106 | CIF HKL Paper | C18 H16 Cl N O2 S | P 1 21/c 1 | 6.6235; 25.1848; 9.8283 90; 96.504; 90 | 1628.92 | Guseinov, Firudin I.; Kobrakov, Konstantin I.; Shuvalova, Elena V.; Tuzharov, Egor I.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 2-(4-chlorophenyl)-4-(dimethoxymethyl)-5-phenyl-1,3-thiazole Acta Crystallographica Section E, 2022, 78 |
| 2244107 | CIF HKL Paper | C36 H31 N O8 | C 1 2/c 1 | 18.7222; 9.787; 16.9398 90; 113.758; 90 | 2840.9 | Magrashi, Maryam Ali; Aazam, Elham Shafik The co-crystal 4,6-diacetylresorcinol–1-aminopyrene (2/1) Acta Crystallographica Section E, 2022, 78, 679-681 |
| 2244108 | CIF HKL Paper | C9 H10 Cl N O2 | P 1 21/c 1 | 10.0939; 9.6423; 10.2799 90; 115.531; 90 | 902.83 | Missioui, Mohcine; Guerrab, Walid; Nchioua, Intissar; El Moutaouakil Ala Allah, Abderrazzak; Kalonji Mubengayi, Camille; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef Crystal structure and Hirshfeld surface analysis of 2-chloro-<i>N</i>-(4-methoxyphenyl)acetamide Acta Crystallographica Section E, 2022, 78 |
| 2244109 | CIF HKL Paper | C22 H19 N O2 | P b c n | 20.8269; 9.09843; 9.0158 90; 90; 90 | 1708.42 | Naghiyev, Farid N.; Khrustalev, Victor N.; Safronenko, Marina G.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 2,2'-(phenylazanediyl)bis(1-phenylethan-1-one) Acta Crystallographica Section E, 2022, 78 |
| 2244110 | CIF HKL Paper | C20 H24 Br N O2 | P 1 21/c 1 | 21.1019; 9.01359; 10.03985 90; 96.1425; 90 | 1898.65 | Khalilov, Ali N.; Khrustalev, Victor N.; Fortalnova, Elena A.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of 4-bromo-2-[3-methyl-5-(2,4,6-trimethylbenzyl)oxazolidin-2-yl]phenol Acta Crystallographica Section E, 2022, 78 |
| 2244111 | CIF HKL Paper | C18 H14 Cl2 N2 O2 Zn | P 1 21 1 | 8.5167; 7.8697; 13.1617 90; 94.89; 90 | 878.94 | Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide Acta Crystallographica Section E, 2022, 78 |
| 2244112 | CIF HKL Paper | C18 H14 Br2 N2 O2 Zn | P 1 21/c 1 | 16.3922; 7.3527; 15.5809 90; 97.113; 90 | 1863.5 | Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide Acta Crystallographica Section E, 2022, 78 |
| 2244113 | CIF HKL Paper | C18 H14 I2 N2 O2 Zn | P 1 21/c 1 | 16.7231; 7.6155; 15.8689 90; 97.192; 90 | 2005.08 | Padgett, Clifford W.; Lynch, Will E.; Groneck, Erin N.; Raymundo, Melina; Adams, Desiree Crystal structures of three zinc(II) halide coordination complexes with quinoline <i>N</i>-oxide Acta Crystallographica Section E, 2022, 78 |
| 2244114 | CIF HKL Paper | C32 H41 N3 O3 S Si | P -1 | 8.6752; 8.8765; 20.2299 78.107; 87.922; 89.512 | 1523.37 | Friedrich, Erik; Heinrich, Timo; Rosenberger, Lara; Krier, Mireille; Marek, Stephanie; Reggelin, Michael Synthesis and crystal structure of <i>rac</i>-2-(1,3-dioxoisoindolin-2-yl)ethyl 4-methyl-<i>N</i>-phenyl-<i>N</i>'-(triisopropylsilyl)benzenesulfondiimidoate: the first member of a new substance class Acta Crystallographica Section E, 2022, 78 |
| 2244115 | CIF HKL Paper | C21 H16 N2 O5 | C 1 c 1 | 16.4968; 14.8697; 16.1836 90; 114.879; 90 | 3601.5 | Li, Chun; Weaver, Matthew J.; Campbell, Michael J.; Natale, Nicholas R. Syntheses and crystal structures of a nitro–anthracene–isoxazole and its oxidation product Acta Crystallographica Section E, 2022, 78 |
| 2244116 | CIF HKL Paper | C21 H17 N O5 | P 1 21/c 1 | 8.2862; 23.5895; 8.6219 90; 97.728; 90 | 1669.99 | Li, Chun; Weaver, Matthew J.; Campbell, Michael J.; Natale, Nicholas R. Syntheses and crystal structures of a nitro–anthracene–isoxazole and its oxidation product Acta Crystallographica Section E, 2022, 78 |
| 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 |
| 2244118 | CIF HKL Paper | C26 H30 N2 O4 | P b c a | 19.998; 9.7472; 23.54 90; 90; 90 | 4588.5 | Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael Synthesis and crystal structure of 2-(2-hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol Acta Crystallographica Section E, 2022, 78 |
| 2244119 | CIF HKL Paper | C26 H28 Mn N6 S2 | P b c n | 17.47811; 8.9357; 17.36177 90; 90; 90 | 2711.55 | Ceglarska, Magdalena; Krebs, Christoph; Näther, Christian Syntheses, crystal structures and properties of tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II) and tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II) Acta Crystallographica Section E, 2022, 78, 755-760 |
| 2244120 | CIF HKL | C26 H28 Fe N6 S2 | P b c n | 17.3733; 8.94119; 17.24862 90; 90; 90 | 2679.37 | Ceglarska, Magdalena; Krebs, Christoph; Näther, Christian Syntheses, crystal structures and properties of tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II) and tetrakis(3-methylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)iron(II) Acta Crystallographica Section E, 2022, 78, 755-760 |
| 2244121 | CIF HKL Paper | La2 O24 Sr9 W4 | I 41/a :2 | 11.6365; 11.6365; 16.304 90; 90; 90 | 2207.69 | Simura, Rayko; Watanabe, Tomoki; Yamane, Hisanori Sr~9~La~2~(WO~6~)~4~ containing [WO~6~] octahedra Acta Crystallographica Section E, 2022, 78 |
| 2244122 | CIF HKL Paper | C27 H27 N O | P 1 21/n 1 | 14.416; 5.8569; 25.354 90; 96.116; 90 | 2128.5 | Liu, Xiaozhou; Wang, Lu; Feng, Ying; Cui, Deliang; Liu, Zhi Crystal structure of 8-hexyloxy-2-[(<i>Z</i>)-2-(naphthalen-2-yl)ethenyl]quinoline Acta Crystallographica Section E, 2022, 78 |
| 2244123 | CIF HKL Paper | Ba3 H12 O17 Se2 Sn | P 63 | 9.255; 9.255; 11.4441 90; 90; 120 | 848.92 | Reuter, Hans; Kamaha, Shouassi Ba~3~[Sn(OH)~6~][SeO~4~]~2~·3H~2~O, a hydrated 1:2 double salt of barium hexahydroxidostannate(IV) and barium selenate(VI) Acta Crystallographica Section E, 2022, 78 |
| 2244124 | CIF | C18 H20 N4 O8 | P -1 | 7.3729; 8.4842; 15.5411 88.954; 81.333; 89.352 | 960.85 | Subha, Veerappan; Seethalakshmi, Thangaraj; Balakrishnan, Thangavelu; Percino, M. Judith; Venkatesan, Perumal Crystal structure of 4-(2-methoxyphenyl)piperazin-1-ium 3,5-dintrosalicylate Acta Crystallographica Section E, 2022, 78 |
| 2244125 | CIF HKL Paper | C26 H40 Co2 N4 O22 | P -1 | 9.2008; 9.3137; 10.647 86.551; 79.378; 72.369 | 854.61 | Velazquez-Garcia, Jose de Jesus; Techert, Simone Synthesis and structure of hexaaquacobalt bis(2-methyl-1<i>H</i>-imidazol-3-ium) tetraaquabis(benzene-1,3,5-tricarboxylato-κ<i>O</i>)cobalt Acta Crystallographica Section E, 2022, 78 |
| 2244126 | CIF HKL Paper | C17 H15 F O2 | P c a 21 | 7.1426; 17.0566; 11.152 90; 90; 90 | 1358.63 | Bernhard, Merle; Lutter, Jacob C.; Predecki, Allison Crystal structure of (2<i>E</i>)-1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-en-1-one Acta Crystallographica Section E, 2022, 78 |
| 2244127 | CIF HKL Paper | C31 H35 N O4 | P 1 21/n 1 | 10.443; 18.4563; 14.2378 90; 107.93; 90 | 2610.9 | Sughanya, V.; Loganathan, B.; Praveenkumar, D.; Ayyappan, J.; Sundararajan, M. L.; Prabhakaran, A.; Dhandapani, A.; Suresh Babu, N. Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 10-benzyl-9-(4-hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione Acta Crystallographica Section E, 2022, 78 |
| 2244128 | CIF HKL Paper | C16 H10 N4 O2 S2 Zn | C 1 2/c 1 | 20.4223; 11.326; 7.4019 90; 98.31; 90 | 1694.11 | Pirimova, Mehribon; Torambetov, Batirbay; Kadirova, Shakhnoza; Ziyaev, Abdukhakim; Gonnade, Rajesh G.; Ashurov, Jamshid Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxadiazole-2-thiolate Acta Crystallographica Section E, 2022, 78 |
| 2244129 | CIF HKL Paper | C27 H27 N13 O | P 1 21/c 1 | 8.9102; 13.5595; 22.052 90; 98.024; 90 | 2638.2 | Mahmudov, Ibadulla; Atioğlu, Zeliha; Akkurt, Mehmet; Abdullayev, Yusif; Sujayev, Afsun; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of 2-(4-amino-6-phenyl-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene)malononitrile dimethylformamide hemisolvate Acta Crystallographica Section E, 2022, 78 |
| 2244130 | CIF HKL Paper | C14 H8 Br3 N3 O2 | P b c a | 6.6579; 15.7683; 29.0301 90; 90; 90 | 3047.69 | Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mammadova, Naila A.; Babayeva, Gülnara V.; Khrustalev, Victor N.; Bhattarai, Ajaya Crystal structure and Hirshfeld surface analysis of a new polymorph of (<i>E</i>)-2-(4-bromophenyl)-1-[2,2-dibromo-1-(3-nitrophenyl)ethenyl]diazene Acta Crystallographica Section E, 2022, 78 |
| 2244131 | CIF HKL Paper | C17 H21 N3 O5 | P -1 | 6.0768; 7.4427; 18.4737 78.894; 85.87; 83.668 | 813.77 | Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher Syntheses and crystal structures of 4-(4-nitrophenyl)piperazin-1-ium benzoate monohydrate and 4-(4-nitrophenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate Acta Crystallographica Section E, 2022, 78 |
| 2244132 | CIF HKL Paper | C17 H17 N5 O9 | P -1 | 7.9599; 8.5391; 14.2227 90.426; 105.273; 98.538 | 921.15 | Shankara Prasad, Holehundi J.; Devaraju; Vinaya; Yathirajan, Hemmige S.; Parkin, Sean R.; Glidewell, Christopher Syntheses and crystal structures of 4-(4-nitrophenyl)piperazin-1-ium benzoate monohydrate and 4-(4-nitrophenyl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate Acta Crystallographica Section E, 2022, 78 |
| 2244133 | CIF HKL Paper | C36 H30 Br2 N6 O3 | C 1 2/c 1 | 27.539; 6.343; 21.354 90; 118.17; 90 | 3288.3 | Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Tereshina, Tatiana A.; Khalilov, Ali N.; Akkurt, Mehmet; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile Acta Crystallographica Section E, 2022, 78 |
| 2244134 | CIF HKL Paper | C13 H9 N5 O | P -1 | 8.6444; 8.9104; 16.0902 79.196; 86.485; 69.003 | 1136.52 | Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Tereshina, Tatiana A.; Khalilov, Ali N.; Akkurt, Mehmet; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile Acta Crystallographica Section E, 2022, 78 |
| 2244135 | CIF HKL Paper | C48 H51.5 Fe2 N16 O12.75 S2 | P -1 | 9.9635; 14.4905; 20.1131 96.736; 101.49; 95.216 | 2806.5 | Petrenko, Yuliia P.; Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Gural'skiy, Il`ya A.; Shova, Sergiu; Lampeka, Rostyslav D.; Raspertova, Ilona V. Synthesis and crystal structure of hydrated μ-oxalato-bis{bis[3-methyl-5-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazole]iron(II)} bis(toluenesulfonate) 2.75-hydrate Acta Crystallographica Section E, 2022, 78 |
| 2244136 | CIF HKL Paper | C30 H50 N4 O4 | P 1 21/c 1 | 14.2508; 15.3046; 15.2593 90; 113.311; 90 | 3056.43 | Stapf, Manuel; Schmidt, Ute; Seichter, Wilhelm; Mazik, Monika Synthesis and crystal structure of 1,3-bis{[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)amino]methyl}-5-{[(4,6-dimethylpyridin-2-yl)amino]methyl}-2,4,6-triethylbenzene Acta Crystallographica Section E, 2022, 78 |
| 2244137 | CIF HKL Paper | C23 H20 Cl2 N4 O3 S | P 1 21/c 1 | 14.8117; 10.7086; 15.1887 90; 112.417; 90 | 2227.1 | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Alfayomy, Abdallah M.; Seri, Sahar M. Abou; Abdel-Raheem, Shaban A. A.; Ul-Malik, Mokhtar A. Abd Crystal structure and Hirshfeld surface analysis of ethyl (3<i>E</i>)-5-(4-chlorophenyl)-3-{[(4-chlorophenyl)formamido]imino}-7-methyl-2<i>H</i>,3<i>H</i>,5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate Acta Crystallographica Section E, 2022, 78 |
| 2244138 | CIF HKL Paper | C8 H7 F N4 O | P 1 21/c 1 | 10.8398; 19.0207; 9.3307 90; 112.378; 90 | 1778.93 | Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef Crystal structure and Hirshfeld surface analysis of 2-azido-<i>N</i>-(4-fluorophenyl)acetamide Acta Crystallographica Section E, 2022, 78, 855-859 |
| 2244139 | CIF HKL Paper | C21 H26 N2 O3 | P 1 21/c 1 | 14.5241; 10.0718; 13.271 90; 97.042; 90 | 1926.69 | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Abdel-Rahman, Laila H.; Abdel-Hameed, Mohamed; Albayati, Mustafa R.; Al-Taif, Elham A. Crystal structure and Hirshfeld surface analysis of (±)-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)-2-(4-isobutylphenyl)propionohydrazide Acta Crystallographica Section E, 2022, 78, 860-863 |
| 2244140 | CIF HKL Paper | C14 H13 N O4 | P 1 21/n 1 | 11.6407; 7.4412; 42.2828 90; 93.038; 90 | 3657.42 | Faraj, Imane; Oubella, Ali; Chkirate, Karim; Al Mamari, Khalil; Hökelek, Tuncer; Mague, Joel T.; El Ghayati, Lhoussaine; Sebbar, Nada Kheira; Essassi, El Mokhtar Crystal structure, Hirshfeld surface analysis and DFT calculations of (<i>E</i>)-3-[1-(2-hydroxyphenylanilino)ethylidene]-6-methylpyran-2,4-dione Acta Crystallographica Section E, 2022, 78, 864-870 |
| 2244141 | CIF HKL Paper | C24 H23.5 F N4 O4.25 S | P 1 21/c 1 | 14.4316; 10.8518; 15.594 90; 109.941; 90 | 2295.74 | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Alfayomy, Abdallah M.; Ragab, Fatma A. F.; Abd ul-Malik, Mokhtar A. Crystal structure and Hirshfeld surface analysis of ethyl (3<i>E</i>)-5-(4-fluorophenyl)3-{[(4-methoxyphenyl)formamido]imino}-7-methyl-2<i>H</i>,3<i>H</i>,5<i>H</i>-[1,3]thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate 0.25-hydrate Acta Crystallographica Section E, 2022, 78 |
| 2244142 | CIF HKL Paper | C11 H9 Br N2 O | P 1 21/c 1 | 7.5654; 11.4972; 12.1025 90; 105.583; 90 | 1013.99 | Tojiboev, Akmaljon; Elmuradov, Burkhon; Kattaev, Nuritdin; Abdurazakov, Asqar; Nasrullayev, Azizbek; Tashkhodjaev, Bakhodir Crystal structure, Hirshfeld surface analysis and DFT calculations of 7-bromo-2,3-dihydropyrrolo[2,1-<i>b</i>]quinazolin-9(1<i>H</i>)-one Acta Crystallographica Section E, 2022, 78 |
| 2244143 | CIF HKL Paper | C10 H10 Cl N5 O7 | P -1 | 8.3023; 10.0792; 10.1052 116.966; 105.481; 92.871 | 711.77 | Qiu, Qi-Ming; Song, Jian-Biao; Dong, Ai-Guo; Li, Chuan-Tao; Zheng, Zhi-Yuan Crystal structure of 4,4'-(diazenediyl)dipyridinium nitrate perchlorate Acta Crystallographica Section E, 2022, 78 |
| 2244144 | CIF HKL Paper | C9 H11 N5 O2 | P c a 21 | 24.367; 4.3979; 10.1424 90; 90; 90 | 1086.9 | Plutenko, Maksym O.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Potaskalov, Vadim A.; Kalibabchuk, Valentina A. Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hydroxyimino-<i>N</i>-[1-(pyrazin-2-yl)ethylidene]propanohydrazide Acta Crystallographica Section E, 2022, 78 |
| 2244145 | CIF HKL Paper | C83.5 H96 B F15 N3 O P Ti | P -1 | 13.8643; 14.3017; 20.0502 86.4852; 80.0328; 73.6493 | 3756.9 | Fitschen, Kerstin; Frerichs, Nils; Yusufzadeh, Zainab; Schmidtmann, Marc; Beckhaus, Rüdiger Crystal structures of the Lewis acid–base adducts {[(C~6~H~11~)~2~N]~3~Ti–<i>LB</i>}^+^[MeB(C~6~F~5~)~3~]^{-^}·1.5C~7~H~8~; LB = (C~6~H~5~)~3~PO (1), <i>p</i>-F—C~6~H~4~CN (2) Acta Crystallographica Section E, 2022, 78 |
| 2244146 | CIF HKL | C72.5 H85 B F16 N4 Ti | P -1 | 12.1151; 13.2796; 21.1662 77.916; 88.8857; 87.9827 | 3327.5 | Fitschen, Kerstin; Frerichs, Nils; Yusufzadeh, Zainab; Schmidtmann, Marc; Beckhaus, Rüdiger Crystal structures of the Lewis acid–base adducts {[(C~6~H~11~)~2~N]~3~Ti–<i>LB</i>}^+^[MeB(C~6~F~5~)~3~]^{-^}·1.5C~7~H~8~; LB = (C~6~H~5~)~3~PO (1), <i>p</i>-F—C~6~H~4~CN (2) Acta Crystallographica Section E, 2022, 78 |
| 2244147 | CIF HKL Paper | C21 H22 N2 O4 | P 1 21/c 1 | 13.8608; 8.8352; 15.5411 90; 98.468; 90 | 1882.46 | Nchioua, Intissar; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef Crystal structure and Hirshfeld surface analysis of <i>N</i>-(2,6-dimethylphenyl)-2-[3-hydroxy-2-oxo-3-(2-oxopropyl)indolin-1-yl]acetamide Acta Crystallographica Section E, 2022, 78 |
| 2244148 | CIF HKL Paper | C36 H43 N O6 | P 1 21/c 1 | 27.091; 6.2408; 18.685 90; 90.975; 90 | 3158.6 | Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean Synthesis and crystal structure of ebastinium hydrogen fumarate Acta Crystallographica Section E, 2022, 78 |
| 2244149 | CIF HKL Paper | C24 H19 N O | I 1 2/a 1 | 18.6588; 5.4739; 35.5689 90; 100.729; 90 | 3569.37 | Cheng, Dong; Meng, Xiang-Zhen; Tian, Fuyu; Yan, Dong; Wang, Xiaofei; Qian, Xueli; Wang, Junnan Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine Acta Crystallographica Section E, 2022, 78 |
| 2244150 | CIF HKL Paper | C37 H60 Cl N3 | P 1 21/n 1 | 12.253; 22.699; 12.884 90; 104.164; 90 | 3474.5 | Muñoz Sánchez, Gaby M.; Zdilla, Michael J. Crystal structure of <i>N</i>-butyl-2,3-bis(dicyclohexylamino)cyclopropeniminium chloride benzene monosolvate Acta Crystallographica Section E, 2022, 78 |
| 2244151 | CIF HKL Paper | C17 H14 Br N3 O4 | P b c a | 9.388; 12.226; 28.693 90; 90; 90 | 3293.3 | Naghiyev, Farid N.; Khrustalev, Victor N.; Venskovsky, Nikolai U.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate Acta Crystallographica Section E, 2022, 78 |
| 2244152 | CIF HKL Paper | C19 H26 N2 O4 | P -1 | 7.4141; 12.3595; 19.9917 86.695; 83.654; 82.182 | 1802.1 | 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 |
| 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 |
| 2244154 | CIF HKL Paper | C7 H6 N4 O3 | C 1 2/c 1 | 15.3747; 4.6699; 23.0423 90; 103.122; 90 | 1611.2 | Irrou, Ezaddine; Elmachkouri, Younesse Ait; Oubella, Ali; Ouchtak, Hassan; Dalbouha, Samira; Mague, Joel T.; Hökelek, Tuncer; El Ghayati, Lhoussaine; Sebbar, Nada Kheira; Taha, Mohamed Labd Crystal structure determination, Hirshfeld surface, crystal void, intermolecular interaction energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-dihydro-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)acetic acid Acta Crystallographica Section E, 2022, 78, 953-960 |
| 2244155 | CIF HKL Paper | C14 H26 Ni O20 S2 | P -1 | 6.5986; 7.4183; 13.2847 74.1712; 88.6035; 77.92 | 611.41 | Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep; Gianopoulos, Christopher G. Crystal structures of two new divalent transition-metal salts of carboxybenzenesulfonate anions Acta Crystallographica Section E, 2022, 78, 961-965 |
| 2244156 | CIF HKL Paper | C14 H26 Co O18 S2 | P -1 | 6.7774; 6.9866; 13.721 91.107; 90.401; 117.583 | 575.66 | Bettinger, Reuben T.; Squattrito, Philip J.; Aulakh, Darpandeep; Gianopoulos, Christopher G. Crystal structures of two new divalent transition-metal salts of carboxybenzenesulfonate anions Acta Crystallographica Section E, 2022, 78, 961-965 |
| 2244157 | CIF HKL Paper | B12 H10 O26 Rb6 | P n n m | 13.395; 9.251; 12.368 90; 90; 90 | 1532.6 | Qiu, Qi-Ming; Yan, Li; Song, Jian-Biao Crystal structure of Rb~6~[B~12~O~18~(OH)~6~]·2H~2~O Acta Crystallographica Section E, 2022, 78, 971-973 |
| 2244158 | CIF HKL Paper | C15 H12 F3 N O4 S | P 1 21/c 1 | 13.5689; 9.2906; 13.4358 90; 118.53; 90 | 1488.1 | Schinke, Jascha; Gelbrich, Thomas; Griesser, Ulrich J. Crystal structure, PIXEL calculations of intermolecular interaction energies and solid-state characterization of the herbicide isoxaflutole Acta Crystallographica Section E, 2022, 78 |
| 2244159 | CIF HKL Paper | B12 H3 K Mg2 O22 | P a -3 | 12.2966; 12.2966; 12.2966 90; 90; 90 | 1859.32 | Qiu, Qi-Ming; Song, Jian-Biao Crystal structure of MgK~0.5~[B~6~O~10~](OH)~0.5~·0.5H~2~O, poly[dimagnesium potassium bis(hexaborate) hydroxide monohydrate] Acta Crystallographica Section E, 2022, 78, 1003-1005 |
| 2244160 | CIF HKL Paper | C35 H22 Cl N O7 | P -1 | 8.0202; 9.8474; 19.4712 95.422; 94.693; 103.857 | 1477.66 | Selvanandan, S.; Anil kumar, H.; Srinivasa, H. T.; Palakshamurthy, B. S. Crystal structure and Hirshfeld surface analysis of 3-({4-[(4-cyanophenoxy)carbonyl]phenoxy}carbonyl)phenyl 4-(benzyloxy)-3-chlorobenzoate Acta Crystallographica Section E, 2022, 78 |
| 2244161 | CIF HKL Paper | C12 H13 N3 O S | I 1 a 1 | 8.1644; 15.9237; 9.6936 90; 106.661; 90 | 1207.33 | Mutalliev, Lukmonjon Z.; Abdullaev, Sirojiddin; Pirnazarova, Nasiba; Obidova, Ibodat; Turgunov, Kambarali; Yakubov, Ubaydullo; Ashurov, Jamshid M.; Elmuradov, Burkhan Zh.; Mamadrakhimov, Azimjon A. Synthesis, crystal structure and Hirshfeld surface analysis of (1<i>H</i>-benzimidazol-2-yl)(morpholin-4-yl)methanethione Acta Crystallographica Section E, 2022, 78 |
| 2244162 | CIF HKL Paper | C8 H5 N S3 | P -1 | 5.7955; 7.3789; 10.0344 89.459; 89.719; 78.956 | 421.15 | Schriver, Melbourne J.; George, Tanner; Masuda, Jason D. Synthesis and crystal structure of 3-phenyl-1,4,2-dithiazole-5-thione Acta Crystallographica Section E, 2022, 78 |
| 2244163 | CIF HKL Paper | C17 H21 F N2 O3 | P -1 | 6.239; 7.496; 17.817 93.55; 92.94; 94.87 | 827.3 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244164 | CIF HKL | C17 H21 Br N2 O3 | P 1 21/c 1 | 6.183; 37.748; 7.506 90; 93.69; 90 | 1748.2 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244165 | CIF HKL | C17 H19 I N2 O2 | P 1 21/c 1 | 10.8507; 23.4045; 13.3019 90; 102.491; 90 | 3298.13 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244166 | CIF HKL | C17 H19 N3 O4 | P 1 21/c 1 | 13.0683; 15.7868; 7.9255 90; 95.137; 90 | 1628.52 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244167 | CIF HKL | C17 H18 N4 O7 | P 1 21/c 1 | 7.779; 7.411; 31.357 90; 96.82; 90 | 1794.9 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244168 | CIF HKL | C17 H18 N4 O6 | P -1 | 5.707; 12.505; 13.116 97.41; 93.28; 102.82 | 901.5 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244169 | CIF HKL | C16 H17 N5 O7 | P 1 21/c 1 | 8.517; 6.825; 30.265 90; 95.33; 90 | 1751.7 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244170 | CIF HKL | C17 H22 N2 O3 | P 1 21/c 1 | 6.202; 34.573; 7.596 90; 93.83; 90 | 1625.1 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244171 | CIF HKL | C17 H22 N2 O3 S | P 1 21 1 | 8.325; 10.949; 18.418 90; 92.67; 90 | 1677 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244172 | CIF HKL | C14 H22 N2 O7 | P 21 21 21 | 7.1185; 7.5255; 29.955 90; 90; 90 | 1604.7 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244173 | CIF HKL | C14 H18 N2 O4 | P c a 21 | 26.702; 7.9626; 6.7571 90; 90; 90 | 1436.68 | Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J. The structures of eleven (4-phenyl)piperazinium salts containing organic anions Acta Crystallographica Section E, 2022, 78, 1016-1027 |
| 2244174 | CIF HKL Paper | C22 H34 N2 O5 | P 1 21/c 1 | 7.9531; 13.4224; 21.2015 90; 92.484; 90 | 2261.1 | Naeem, Marilyn; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. The methanol and ethanol solvates of 4-glutarato-<i>N</i>,<i>N</i>-diisopropyltryptamine Acta Crystallographica Section E, 2022, 78 |
| 2244175 | CIF HKL Paper | C23 H36 N2 O5 | P 1 21/c 1 | 8.0087; 13.7968; 21.878 90; 90.749; 90 | 2417.2 | Naeem, Marilyn; Bauer, Barbara E.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. The methanol and ethanol solvates of 4-glutarato-<i>N</i>,<i>N</i>-diisopropyltryptamine Acta Crystallographica Section E, 2022, 78 |
| 2244176 | CIF HKL Paper | C15 H14 N2 O3 | P 1 n 1 | 4.5017; 14.047; 10.567 90; 96.3; 90 | 664.2 | Vinaya; Basavaraju, Yeriyur B.; Lakshmana, Beliyaiah; Yathirajan, Hemmige S.; Parkin, Sean Syntheses and crystal structures of benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl <i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate Acta Crystallographica Section E, 2022, 78 |
| 2244177 | CIF HKL Paper | C15 H13 Br N2 O3 | P 1 21/c 1 | 27.904; 11.1207; 9.0648 90; 94.485; 90 | 2804.3 | Vinaya; Basavaraju, Yeriyur B.; Lakshmana, Beliyaiah; Yathirajan, Hemmige S.; Parkin, Sean Syntheses and crystal structures of benzyl <i>N</i>'-[(<i>E</i>)-2-hydroxybenzylidene]hydrazinecarboxylate and benzyl <i>N</i>'-[(<i>E</i>)-5-bromo-2-hydroxybenzylidene]hydrazinecarboxylate 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 |
| 2244179 | CIF HKL Paper | C17 H17 Br N2 O | P 1 21 1 | 7.5162; 6.1125; 15.7249 90; 98.625; 90 | 714.28 | 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 |
| 2244180 | CIF HKL Paper | C19 H26 Cl N Si | P 1 21/n 1 | 9.732; 19.0598; 10.9186 90; 110.526; 90 | 1896.7 | Schwab, Christoph; Voss, Andreas; Strohmann, Carsten Crystal structure and Hirshfeld surface analysis of <i>N-</i>{[diphenyl(vinyl)silyl]methyl}-2-methylpropan-2-ammonium chloride Acta Crystallographica Section E, 2022, 78 |
| 2244181 | CIF HKL Paper | C16 H13 Au Cl P S | P 21 21 21 | 10.0322; 12.0784; 12.9412 90; 90; 90 | 1568.1 | Neils, Thomas; LaDuca, Andrew; Bender, John E.; Staples, Richard J.; Biros, Shannon M. Crystal structure of chlorido[diphenyl(thiophen-2-yl)phosphine-κ<i>P</i>]gold(I) 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 |
| 2244183 | CIF HKL Paper | C36 H39 Cl3 N8 O2 | I 4/m | 17.305; 17.305; 26.04 90; 90; 90 | 7798 | van der Peet, Phillip L.; Joyce, Rohan D.; Ott, Holger; Marcuccio, Sebastian M.; White, Jonathan M.; Williams, Spencer J. Synthesis and structure of clozapine <i>N</i>-oxide hemi(hydrochloride): an infinite hydrogen-bonded poly[<i>n</i>]catenane Acta Crystallographica Section E, 2022, 78 |
| 2244184 | CIF HKL Paper | C13 H16 O3 | P -1 | 4.5931; 8.9134; 15.0764 74.808; 85.309; 77.43 | 581.18 | Cattey, Hélène; Boni, Gilles; Pourchet, Sylvie; Plasseraud, Laurent Crystal structure of the monoglycidyl ether of isoeugenol Acta Crystallographica Section E, 2022, 78 |
| 2244192 | CIF HKL Paper | C22 H27 N O4 | P -1 | 7.2941; 9.6773; 14.4302 82.1992; 88.3216; 75.9397 | 978.92 | Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R. Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives Acta Crystallographica Section E, 2022, 78 |
| 2244193 | CIF HKL Paper | C22 H27 N O4 | P 1 21/n 1 | 15.3492; 14.0314; 18.3862 90; 90.0834; 90 | 3959.8 | Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R. Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives Acta Crystallographica Section E, 2022, 78 |
| 2244194 | CIF HKL Paper | C21 H25 N O5 | P 1 21/n 1 | 9.2745; 22.1655; 11.3475 90; 108.201; 90 | 2216.03 | Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R. Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives Acta Crystallographica Section E, 2022, 78 |
| 2244195 | CIF HKL Paper | C16 H17 N5 Ni S2 | C 1 2/c 1 | 18.2934; 11.7472; 9.7341 90; 117.043; 90 | 1863.11 | Näther, Christian; Jess, Inke; Krebs, Christoph Synthesis, crystal structure and properties of <i>catena</i>-poly[[[bis(3-methylpyridine-κ<i>N</i>)nickel(II)]-di-μ-1,3-thiocyanato] acetonitrile monosolvate] Acta Crystallographica Section E, 2022, 78 |
| 2244196 | CIF HKL Paper | C38 H38 Fe N12 O2 | A e a 2 | 12.6854; 26.315; 10.6511 90; 90; 90 | 3555.5 | Znovjyak, Kateryna; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu; Seredyuk, Maksym Crystal structure of bis{3-(3,4-dimethylphenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate Acta Crystallographica Section E, 2022, 78 |
| 2244197 | CIF Paper | C5 H6 O3 | P 1 21/m 1 | 3.8283; 10.972; 6.1096 90; 93.523; 90 | 256.14 | Chandrasekaran, Chandru P.; Donahue, James P. Crystal structure of 4,5-dimethyl-1,3-dioxol-2-one Acta Crystallographica Section E, 2022, 78 |
| 2244198 | CIF HKL Paper | C8 H8 O2 S2 | P c a 21 | 10.7521; 5.5245; 14.48 90; 90; 90 | 860.1 | Kellou, Sabah; Brihi, Ouarda; Chetioui, Souheyla; Salah Eddine, Lemallem; Abdelali, Fiala; Boudjada, Ali Synthesis and crystal structure of 2-(1,3-dithietan-2-ylidene)cyclohexane-1,3-dione Acta Crystallographica Section E, 2022, 78 |
| 2244199 | CIF HKL Paper | C8 H7 Cl O2 | P 1 21/n 1 | 4.9172; 12.7016; 11.8573 90; 96.294; 90 | 736.1 | Priyanka, Prabhakar; Jayanna, Bidarur K.; Vinaya; Shankara Prasad, Holehundi J.; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Parkin, Sean Synthesis and crystal structure of 2-chloro-1-(3-hydroxyphenyl)ethanone 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 |
| 2244201 | CIF HKL Paper | C30 H42 N4 O2 | P b c a | 12.0297; 14.6357; 32.763 90; 90; 90 | 5768.4 | Pollock, Alicia A.; Huther, Holly A.; Birch, Cole M.; Reinheimer, Eric W.; Lewis, David E.; Gerlach, Deidra L. Crystal structure of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1<i>H</i>-benz[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione Acta Crystallographica Section E, 2022, 78 |
| 2244202 | CIF HKL Paper | C12 H16 Cu N6 O12 | P 1 21/c 1 | 5.4741; 22.5679; 7.6478 90; 92.286; 90 | 944.05 | Kamolov, Sanjar; Babaev, Bakhrom; Ibragimov, Aziz; Yakubov, Yuldash; Abdullaev, Akhrorjon; Ibragimov, Bakhtiyar; Ashurov, Jamshid Synthesis, structure and Hirshfeld surface analysis of diaquadinitratobis(4-nitroaniline)copper(II) Acta Crystallographica Section E, 2022, 78 |
| 2244203 | CIF HKL Paper | C34 H26 Cl4 Fe N12 O2 | P n n a | 10.4669; 26.589; 12.8313 90; 90; 90 | 3571 | Znovjyak, Kateryna; Seredyuk, Maksym; Fritsky, Igor O.; Sliva, Tatiana Y.; Amirkhanov, Vladimir M.; Malinkin, Sergey O.; Shova, Sergiu Crystal structure of bis{3-(3,5-dichlorophenyl)-5-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H</i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate Acta Crystallographica Section E, 2022, 78 |
| 2244204 | CIF HKL Paper | C46 H42 N4 Ni O4 | P -1 | 4.6914; 13.0677; 16.9923 68.441; 83.739; 88.032 | 963.05 | Banna, Md. Hasan Al; Howlader, Md. Belayet Hossain; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio Crystal structure of bis{4-[(4-methylbenzyl)oxy]-<i>N</i>'-(4-methylbenzylidene)benzohydrazidato}nickel(II) Acta Crystallographica Section E, 2022, 78, 1081-1083 |
| 2244205 | CIF Paper | C12 H19 N3 O8 S | P 21 21 21 | 7.9857; 9.0145; 22.1621 90; 90; 90 | 1595.39 | Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Glidewell, Christopher; Parkin, Sean Synthesis and crystal structure of topiramate azidosulfate at 90K and 298K Acta Crystallographica Section E, 2022, 78, 984-988 |
| 2244206 | CIF Paper | C12 H19 N3 O8 S | P 21 21 21 | 8.0717; 9.1135; 22.506 90; 90; 90 | 1655.6 | Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Glidewell, Christopher; Parkin, Sean Synthesis and crystal structure of topiramate azidosulfate at 90K and 298K Acta Crystallographica Section E, 2022, 78, 984-988 |
| 2244207 | CIF HKL Paper | C30 H40 N6 Ni O2 S2 | C 1 2/c 1 | 18.5763; 11.6179; 15.8998 90; 97.448; 90 | 3402.51 | Krebs, Christoph; Jess, Inke; Näther, Christian Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)nickel(II) Acta Crystallographica Section E, 2022, 78, 993-998 |
| 2244208 | CIF HKL Paper | C30 H34 N8 Ni S2 | C 1 2/c 1 | 18.799; 11.3033; 15.8639 90; 96.825; 90 | 3347.04 | Krebs, Christoph; Jess, Inke; Näther, Christian Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)nickel(II) Acta Crystallographica Section E, 2022, 78, 993-998 |
| 2244209 | CIF HKL Paper | C30 H38 N6 Ni O S2 | P 1 21/n 1 | 10.2275; 25.0468; 12.718 90; 94.6; 90 | 3247.4 | Krebs, Christoph; Jess, Inke; Näther, Christian Syntheses and crystal structures of the ethanol, acetonitrile and diethyl ether Werner clathrates bis(isothiocyanato-κ<i>N</i>)tetrakis(3-methylpyridine-κ<i>N</i>)nickel(II) Acta Crystallographica Section E, 2022, 78, 993-998 |
| 2244210 | CIF Paper | C7 H13 N O3 | P 1 21/n 1 | 6.0404; 8.6114; 17.611 90; 98.771; 90 | 905.35 | El Mestehdi, Aly Dawa; Abba, Moctar; El Housseine, Mohamed Lemine; Ould Hadou, Abderrahmane; Barry, Aliou Hamady; Ould Elemine, Brahim; Jelsch, Christian; Gaye, Mohamed Synthesis, crystal structure and Hirshfeld surface analysis of <i>tert</i>-butyl <i>N</i>-acetylcarbamate Acta Crystallographica Section E, 2022, 78, 1072-1076 |
| 2244211 | CIF HKL Paper | C17 H18 O3 | P 1 21 1 | 16.1906; 7.5752; 17.7591 90; 95.36; 90 | 2168.6 | Banna, Md. Hasan Al; Ansary, Md. Rezaul Haque; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio Crystal structure of ethyl 4-[(4-methylbenzyl)oxy]benzoate Acta Crystallographica Section E, 2022, 78, 1077-1080 |
| 2244212 | CIF HKL Paper | C17 H18 F N5 O2 | P -1 | 7.694; 15.013; 15.281 71.04; 77.874; 87.78 | 1631.3 | Richter, Adrian; Goddard, Richard; Schönefeld, Roy; Imming, Peter; Seidel, Rüdiger W. Structural characterization and antimycobacterial evaluation of a benzimidazole analogue of the antituberculosis clinical drug candidate TBA-7371 Acta Crystallographica Section E, 2022, 78 |
| 2244213 | CIF HKL Paper | C72 H112 Dy Mn4 N8 Na O28 | P 4/n :2 | 18.2654; 18.2654; 13.4219 90; 90; 90 | 4477.9 | Aziz, Ozha A.; Zeller, Matthias; Zaleski, Curtis M. Crystal structure of a heterotrimetallic 12-metallacrown-4 with 2-propylvalerate anion bridges Acta Crystallographica Section E, 2022, 78 |
| 2244214 | CIF HKL Paper | C28 H21 F N2 O7 S | P -1 | 8.1589; 12.2053; 12.9129 101.569; 93.086; 92.481 | 1256 | Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; Arasambattu MohanaKrishnan, K. Crystal structures of two new carbazole derivatives: ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate and 12-(benzenesulfonyl)-12<i>H</i>-quinolino[4,3-<i>b</i>]carbazole Acta Crystallographica Section E, 2022, 78 |
| 2244215 | CIF HKL Paper | C25 H16 N2 O2 S | P 1 21/n 1 | 10.142; 12.097; 16.2218 90; 104.846; 90 | 1923.8 | Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; Arasambattu MohanaKrishnan, K. Crystal structures of two new carbazole derivatives: ethyl 9-(benzenesulfonyl)-2-(4-fluoro-2-nitrophenyl)-6-methoxy-9<i>H</i>-carbazole-3-carboxylate and 12-(benzenesulfonyl)-12<i>H</i>-quinolino[4,3-<i>b</i>]carbazole Acta Crystallographica Section E, 2022, 78 |
| 2244216 | CIF HKL Paper | C23 H92 Fe4 Li6 N23 Se8 | P -1 | 11.495; 11.665; 22.233 92.885; 92.383; 103.51 | 2890.7 | Fuss, Friederike; Thiele, Günther [Li~6~(C~2~N~2~H~8~)~11.5~][Fe~4~Se~8~]: the first lithium-containing chalcogenidotetraferrate synthesized in solution Acta Crystallographica Section E, 2022, 78 |
| 2244217 | CIF HKL Paper | C72 H88 Cu2 N4 O16 | P 1 21/n 1 | 15.542; 14.001; 16.3217 90; 94.791; 90 | 3539.25 | Chong, Magdalene W. S.; Ottoboni, Sara; Martin, Alan R. G.; Bowering, Deborah; Price, Chris J.; Nordon, Alison; Oswald, Iain D. H.; Ward, Martin R. Crystal structure of a copper–mefenamate complex solvated with diglyme and water Acta Crystallographica Section E, 2022, 78 |
| 2244218 | CIF HKL Paper | C14 H10 S2 | P b c a | 7.84; 16; 18.51 90; 90; 90 | 2322 | Brown, Loren C.; Ghiassi, Kamran B.; Fulton, Ashley C.; Thum, Matthew Crystal structure of dibenzo[<i>c</i>,<i>e</i>]thiepine-5(7<i>H</i>)-thione Acta Crystallographica Section E, 2022, 78 |
| 2300689 | CIF HKL | Al63.643 Cr10 Cu18.381 | P 63 | 10.9995; 10.9995; 12.698 90; 90; 120 | 1330.5 | Samuha, Shmuel; Tamari, Rimon; Grushko, Benjamin; Meshi, Louisa Structure solution of the Al~69.2~Cu~20~Cr~10.8~ {πhi} phase Journal of Applied Crystallography, 2022, 55, 74-79 |
| 2300690 | CIF | Ca2.86 H7.67 O10.92 Si2.2 | P 1 | 200; 3.675; 100 90; 90; 90 | 73500 | Mesecke, Karsten; Warr, Laurence N.; Malorny, Winfried Structure modeling and quantitative X-ray diffraction of C-(A)-S-H Journal of Applied Crystallography, 2022, 55 |
| 2300692 | CIF HKL Paper | C42 H93 F21 N18 O32 Pr4 | C 1 2/c 1 | 27.6254; 12.7853; 23.5496 90; 98.4791; 90 | 8226.8 | Tsymbarenko, Dmitry; Grebenyuk, Dimitry; Burlakova, Maria; Zobel, Mirijam Quick and robust PDF data acquisition using a laboratory single-crystal X-ray diffractometer for study of polynuclear lanthanide complexes in solid form and in solution Journal of Applied Crystallography, 2022, 55, 890-900 |
| 2300693 | CIF HKL Paper | C4 Co Sc3 | C 1 2/m 1 | 5.53; 11.9606; 5.535 90; 104.508; 90 | 354.42 | Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale Journal of Applied Crystallography, 2022, 55 |
| 2300694 | CIF HKL Paper | C4 Co Sc3 | C 1 2/m 1 | 5.5124; 11.9341; 5.5167 90; 104.413; 90 | 351.5 | Fischer, Andreas; Langmann, Jan; Vöst, Marcel; Eickerling, Georg; Scherer, Wolfgang HTD2: a single-crystal X-ray diffractometer for combined high-pressure/low-temperature experiments at laboratory scale Journal of Applied Crystallography, 2022, 55 |
| 2300705 | CIF | H8 Mg6 O18 Si4 | C 1 c 1 | 5.3418; 9.1166; 14.697 90; 93.91; 90 | 714.06 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
| 2300706 | CIF | H8 Mg4 Ni2 O18 Si4 | C 1 c 1 | 5.3444; 9.1074; 14.7086 90; 94.18; 90 | 714.02 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
| 2300707 | CIF | H8 Mg3 Ni3 O18 Si4 | C 1 c 1 | 5.3406; 9.0991; 14.7019 90; 94.44; 90 | 712.29 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
| 2300708 | CIF | H8 Mg2 Ni4 O18 Si4 | C 1 c 1 | 5.3415; 9.1095; 14.6976 90; 94.31; 90 | 713.14 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
| 2300709 | CIF | H8 Ni6 O18 Si4 | C 1 c 1 | 5.3411; 9.0924; 14.6494 90; 94.86; 90 | 708.87 | Levin, Aleksandr; Khrapova, Ekaterina; Kozlov, Daniil; Krasilin, Andrei; Gusarov, Victor Structure refinement, microstrains and crystallite sizes of Mg-Ni-phyllosilicate nanoscroll powders Journal of Applied Crystallography, 2022, 55, 484-502 |
| 2300726 | CIF HKL | Fe2 Mn3 Si3 | P 63/m c m | 6.8534; 6.8534; 4.7556 90; 90; 120 | 193.441 | Ait Haddouch, Mohammed; Abboushi, Nour; Sharma, Neetika; Eich, Andreas; Grzechnik, Andrzej; Li, Cheng; Tolkiehn, Martin; Alsamamra, Husain; Voigt, Jörg; Friese, Karen Site dependence of the magnetocaloric effect in Mn<sub>5-<i>x</i></sub> Fe <sub><i>x</i></sub> Si<sub>3</sub>. Journal of applied crystallography, 2022, 55, 1164-1172 |
| 2312028 | CIF | C24 H22 N2 O3 | R -3 :H | 49.85; 49.85; 4.9234 90; 90; 120 | 10596 | Topkan, Füsun; Özdemir, Mücahit; Özkan, Beyza Nur; Bozali, Kübra; Güler, Eray Metin; Zorlu, Yunus; Bulut, Mustafa; Görgülü, Ahmet Orhan; Yalçın, Bahattin Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and <i>in vitro</i> anticancer activity against colorectal adenocarcinoma Acta Crystallographica Section D, 2022, 78 |
| 2312029 | CIF | C16 H20 O3 | P c a 21 | 29.189; 5.5877; 8.686 90; 90; 90 | 1416.7 | Topkan, Füsun; Özdemir, Mücahit; Özkan, Beyza Nur; Bozali, Kübra; Güler, Eray Metin; Zorlu, Yunus; Bulut, Mustafa; Görgülü, Ahmet Orhan; Yalçın, Bahattin Hydrogen-bond-driven supramolecular helical assembly of a coumarin-substituted phthalonitrile derivative: synthesis and <i>in vitro</i> anticancer activity against colorectal adenocarcinoma Acta Crystallographica Section D, 2022, 78 |
| 2312083 | CIF HKL Paper | C18 H42 O21 | P 21 21 21 | 8.8921; 12.2495; 23.798 90; 90; 90 | 2592.2 | Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 743-748 |
| 2312084 | CIF HKL Paper | C18 H40 O20 | P 21 21 21 | 8.987; 12.3973; 23.528 90; 90; 90 | 2621.4 | Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 743-748 |
| 2312085 | CIF HKL Paper | C10 H12 N2 O4 S | P 1 21/n 1 | 8.6173; 14.6662; 9.4885 90; 108.075; 90 | 1140.01 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
| 2312086 | CIF HKL Paper | C11 H14 N2 O4 S | P 1 21/n 1 | 8.6881; 15.0266; 9.8337 90; 106.526; 90 | 1230.8 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
| 2312087 | CIF HKL Paper | C14 H12 N2 O4 S | P 1 21/n 1 | 7.4701; 23.6743; 7.8614 90; 94.989; 90 | 1385.02 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
| 2312088 | CIF HKL Paper | C10 H14 N2 O2 S | P 1 21/c 1 | 16.399; 7.9485; 18.376 90; 113.907; 90 | 2189.8 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
| 2312089 | CIF HKL Paper | C11 H16 N2 O2 S | P b c a | 11.1747; 10.485; 20.1368 90; 90; 90 | 2359.36 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
| 2312090 | CIF HKL Paper | C14 H14 N2 O2 S | P 1 21/n 1 | 9.799; 10.2612; 13.201 90; 100.682; 90 | 1304.4 | Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B. N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 730-742 |
| 2312091 | CIF HKL Paper | C25 H20 Cu N4 O8 | P -1 | 10.4795; 11.1326; 12.1768 101.393; 105.793; 115.958 | 1143.78 | Bhat, Satish Shantaram; Kawade, Vitthal A.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore Synthesis, crystal structure and biological properties of a fluorophore-labelled mixed-ligand copper(II) complex incorporating N-hydroxynaphthalene-1,8-dicarboximide. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 755-759 |
| 2312092 | CIF HKL Paper | Cl H2 K O | P 1 21/n 1 | 5.687; 6.3969; 8.447 90; 107.08; 90 | 293.7 | Yamashita, Keishiro; Komatsu, Kazuki; Kagi, Hiroyuki Crystal structure of potassium chloride monohydrate: water intercalation into the B1 structure of KCl under high pressure. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 749-754 |
| 2312153 | CIF HKL Paper | C28 H20 Cl N4 P Te | P 1 21/n 1 | 18.2538; 7.3008; 20.0497 90; 106.867; 90 | 2557.02 | Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L. <sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 517-523 |
| 2312154 | CIF HKL Paper | C12 H20 Cl N4 P Te | P -1 | 6.95; 9.5921; 13.604 102.427; 101.89; 91.876 | 863.8 | Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L. <sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 517-523 |
| 2312155 | CIF HKL Paper | C14 H6 N8 O2 Se2 | P 1 21/c 1 | 6.2634; 7.4089; 18.32 90; 96.42; 90 | 844.8 | Nag, Tamali; Ovens, Jeffrey S.; Bryce, David L. <sup>77</sup>Se and <sup>125</sup>Te solid-state NMR and X-ray diffraction structural study of chalcogen-bonded 3,4-dicyano-1,2,5-chalcogenodiazole cocrystals. Acta crystallographica. Section C, Structural chemistry, 2022, 78, 517-523 |
| 3000196 | CIF HKL | C10 H20 N10 O9 S Zn | P 1 21/c 1 | 7.5409; 21.4401; 11.7364 90; 91.352; 90 | 1896.99 | José Manuel Méndez-Arriaga; Erika Rubio-Mirallas; Miguel Quirós; Manuel Sánchez-Moreno Zinc 1,2,4-triazolo[1,5-a]pyrimidine Complexes: Synthesis, Structural Characterization and their Effect Against Chagas Disease. Medicinal chemistry (Shariqah (United Arab Emirates)), 2022, 18, 444-451 |
| 3000300 | CIF | B4 Co10.3 Hf1.7 O20 | P b a m | 9.42623; 12.3374; 3.09543 90; 90; 90 | 359.984 | Mariano, D.L.; Heringer, M.A.V.; Freitas, D.C.; Andrade,V.M.; Saitovitch,E.B.; Continentino, M.A.; Ghivelder, L.; Passamani, E.C.; Sanchez, D.R. 'Metamagnetic transitions induced by doping with non-magnetic 4+ ions in ludwigites Co5A(BO5)2 (A=Zr and Hf)' Journal of Alloys and Compounds, 2022, 890, 161717 |
| 3000301 | CIF | B4 Co10.33 O20 Zr1.67 | P b a m | 9.41497; 12.33136; 3.09365 90; 90; 90 | 359.171 | Mariano, D.L.; Heringer, M.A.V.; Freitas, D.C.; Andrade,V.M.; Saitovitch,E.B.; Continentino, M.A.; Ghivelder, L.; Passamani, E.C.; Sanchez, D.R. 'Metamagnetic transitions induced by doping with non-magnetic 4+ ions in ludwigites Co5A(BO5)2 (A=Zr and Hf)' Journal of Alloys and Compounds, 2022, 890, 161717 |
| 3000327 | CIF | Fe3 O4 | F d -3 m :2 | 8.39912; 8.39912; 8.39912 90; 90; 90 | 592.518 | Paul, Tanmoy A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distribution function of relaxation times (DFRTs) analyses Scientific Reports, 2022, 4851 |
| 3000328 | CIF | Fe3 O4 | P b c m | 2.8202; 9.4378; 9.382 90; 90; 90 | 249.716 | Paul, Tanmoy A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distrib analyses Scientific Reports, 2022, 4851 |
| 3000330 | CIF | Al10 Ca14 O35 Zn6 | F 2 3 | 14.8468; 14.8468; 14.8468 90; 90; 90 | 3272.6 | Kahlenberg, Volker; Krüger, Hannes High-temperature behavior and structural studies on Ca14Al10Zn6O35 Zeitschrift für Kristallographie, 2022, 237, 219-232 |
| 3000331 | CIF | Al10 Ca14 O35 Zn6 | F 2 3 | 14.8555; 14.8555; 14.8555 90; 90; 90 | 3278.4 | Kahlenberg, Volker; Krüger, Hannes High-temperature behavior and structural studies on Ca14Al10Zn6O35 Zeitschrift für Kristallographie, 2022, 237, 219-232 |
| 3000332 | CIF | Al10 Ca14 O35 Zn6 | F 2 3 | 14.867; 14.867; 14.867 90; 90; 90 | 3286.02 | Kahlenberg, Volker; Krüger, Hannes High-temperature behavior and structural studies on Ca14Al10Zn6O35 Zeitschrift für Kristallographie, 2022, 237, 219-232 |
| 3000333 | CIF | Al10 Ca14 O35 Zn6 | F 2 3 | 14.8807; 14.8807; 14.8807 90; 90; 90 | 3295.1 | Kahlenberg, Volker; Krüger, Hannes High-temperature behavior and structural studies on Ca14Al10Zn6O35 Zeitschrift für Kristallographie, 2022, 237, 219-232 |
| 3000334 | CIF | Al10 Ca14 O35 Zn6 | F 2 3 | 14.8953; 14.8953; 14.8953 90; 90; 90 | 3304.8 | Kahlenberg, Volker; Krüger, Hannes High-temperature behavior and structural studies on Ca14Al10Zn6O35 Zeitschrift für Kristallographie, 2022, 237, 219-232 |
| 3000335 | CIF | Al10 Ca14 O35 Zn6 | F 2 3 | 14.9114; 14.9114; 14.9114 90; 90; 90 | 3315.5 | Kahlenberg, Volker; Krüger, Hannes High-temperature behavior and structural studies on Ca14Al10Zn6O35 Zeitschrift für Kristallographie, 2022, 237, 219-232 |
| 3000336 | CIF | Al10 Ca14 O35 Zn6 | F 2 3 | 14.9278; 14.9278; 14.9278 90; 90; 90 | 3326.5 | Kahlenberg, Volker; Krüger, Hannes High-temperature behavior and structural studies on Ca14Al10Zn6O35 Zeitschrift für Kristallographie, 2022, 237, 219-232 |
| 3000337 | CIF | Al10 Ca14 O35 Zn6 | F 2 3 | 14.9454; 14.9454; 14.9454 90; 90; 90 | 3338.3 | Kahlenberg, Volker; Krüger, Hannes High-temperature behavior and structural studies on Ca14Al10Zn6O35 Zeitschrift für Kristallographie, 2022, 237, 219-232 |
| 3000338 | CIF | Al10 Ca14 O35 Zn6 | F 2 3 | 14.9834; 14.9834; 14.9834 90; 90; 90 | 3363.8 | Kahlenberg, Volker; Krüger, Hannes High-temperature behavior and structural studies on Ca14Al10Zn6O35 Zeitschrift für Kristallographie, 2022, 237, 219-232 |
| 3000344 | CIF | O2 V | P 1 21/c 1 | 5.752316; 4.525392; 5.382368 90; 122.611; 90 | 118.022 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000345 | CIF | O2 V0.989 W0.011 | P 1 21/c 1 | 5.756886; 4.528684; 5.383653 90; 122.586; 90 | 118.263 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000346 | CIF | O2 V0.973 W0.027 | P 1 21/c 1 | 5.765868; 4.531848; 5.384223 90; 122.645; 90 | 118.465 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000347 | CIF | O V0.488 W0.012 | P 42/m n m | 4.554985; 4.554985; 2.854296 90; 90; 90 | 59.221 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000348 | CIF | O2 V0.957 W0.043 | P 1 21/c 1 | 5.740803; 4.593496; 5.356922 90; 122.28; 90 | 119.431 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000349 | CIF | O V0.481 W0.019 | P 42/m n m | 4.55898; 4.55898; 2.856885 90; 90; 90 | 59.378 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000350 | CIF | O V0.468 W0.032 | P 42/m n m | 4.56274; 4.56274; 2.863021 90; 90; 90 | 59.604 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000351 | CIF | O V0.455 W0.045 | P 42/m n m | 4.566021; 4.566021; 2.868822 90; 90; 90 | 59.811 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000352 | CIF | O V0.448 W0.052 | P 42/m n m | 4.569537; 4.569537; 2.87232 90; 90; 90 | 59.976 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000353 | CIF | O V0.425 W0.075 | P 42/m n m | 4.572685; 4.572685; 2.878604 90; 90; 90 | 60.19 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000354 | CIF HKL | O V0.462 W0.038 | P 42/m n m | 4.56124; 4.56124; 2.88795 90; 90; 90 | 60.0835 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000355 | CIF HKL | O V0.453 W0.047 | P 42/m n m | 4.56631; 4.56631; 2.88937 90; 90; 90 | 60.247 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000356 | CIF HKL | O V0.433 W0.067 | P 42/m n m | 4.57222; 4.57222; 2.8669 90; 90; 90 | 59.9331 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000362 | CIF | O2 V0.992 W0.008 | P 1 | 5.70293; 4.55591; 5.39085 90; 122.337; 90 | 118.343 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000363 | CIF | O2 V0.992 W0.008 | P 1 | 4.54028; 4.54028; 2.86067 90; 90; 90 | 58.97 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000364 | CIF | O2 V0.975 W0.025 | P 1 | 5.77225; 4.54015; 5.40157 90; 122.914; 90 | 118.836 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000365 | CIF | O2 V0.975 W0.025 | P 1 | 4.5539; 4.5539; 2.85868 90; 90; 90 | 59.283 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000366 | CIF | O2 V0.964 W0.036 | P 1 | 4.55959; 4.55959; 2.85856 90; 90; 90 | 59.429 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000367 | CIF | O2 V0.937 W0.063 | P 1 | 4.56377; 4.56377; 2.86364 90; 90; 90 | 59.644 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000368 | CIF | O2 V0.911 W0.089 | P 1 | 4.56774; 4.56774; 2.86988 90; 90; 90 | 59.878 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000369 | CIF | O2 V0.896 W0.104 | P 1 | 4.5719; 4.5719; 2.87401 90; 90; 90 | 60.073 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000370 | CIF | O2 V0.85 W0.15 | P 1 | 4.57297; 4.57297; 2.87908 90; 90; 90 | 60.207 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000375 | CIF | O2 Sc0.005 V0.995 | P 1 21/c 1 | 5.755932; 4.528083; 5.385573 90; 122.606; 90 | 118.244 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000376 | CIF | O2 Sc0.007 V0.993 | P 1 21/c 1 | 5.755554; 4.527687; 5.384285 90; 122.593; 90 | 118.214 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000377 | CIF | O2 Sc0.003 V0.997 | P 1 21/c 1 | 5.756384; 4.528615; 5.386136 90; 122.617; 90 | 118.265 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000378 | CIF | O2 Sc0.018 V0.982 | P 1 21/c 1 | 5.754162; 4.527055; 5.384134 90; 122.603; 90 | 118.153 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000379 | CIF | O2 Sc0.021 V0.979 | P 1 21/c 1 | 5.755693; 4.527684; 5.383801 90; 122.585; 90 | 118.217 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000380 | CIF | O2 Sc0.015 V0.985 | P 1 21/c 1 | 5.756596; 4.528448; 5.386749 90; 122.613; 90 | 118.284 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000381 | CIF | O2 Sc0.047 V0.953 | P 1 21/c 1 | 5.755818; 4.52814; 5.384144 90; 122.582; 90 | 118.243 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000382 | CIF | Cr0.005 O2 V0.995 | P 1 21/c 1 | 5.753169; 4.526911; 5.381891 90; 122.588; 90 | 118.1 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000383 | CIF | Cr0.02 O4 V1.98 | C 1 2/m 1 | 9.065126; 5.767309; 4.522985 90; 91.1962; 90 | 236.416 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000384 | CIF | Cr0.06 O4 V1.94 | C 1 2/m 1 | 9.064784; 5.791293; 4.526692 90; 91.9246; 90 | 237.503 | Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2) Scientific Reports, 2022, 12, 14767 |
| 3000395 | CIF HKL | C10 H26 Cl4 N4 O2 Pt2 | C 1 2/c 1 | 19.3247; 8.8795; 12.7062 90; 108.332; 90 | 2069.65 | Vinci, Doriana; Chateigner, Daniel Personal communication to COD, 2022 |
| 3000396 | CIF HKL | C5 H15 Cl3 N2 O2 Pt | P 1 21/c 1 | 17.4485; 13.007; 11.9676 90; 108.578; 90 | 2574.55 | Vinci, Doriana; Chateigner, Daniel Personal communication to COD, 2022 |
| 3000397 | CIF HKL | C5 H12 Cl3 N2 Pt | C 1 2/c 1 | 37.154; 5.9294; 21.808 90; 105.654; 90 | 4626.1 | Vinci, Doriana; Chateigner, Daniel Personal communication to COD, 2022 |
| 3000398 | CIF HKL | C14 H14 Cl2 N2 O2 Pt | P -1 | 4.1881; 9.4591; 10.1852 102.793; 91.304; 100.914 | 385.478 | Vinci, Doriana; Chateigner, Daniel Personal communication to COD, 2022 |
| 3000405 | CIF | Ge4 Mn4 Tb2 | I 4/m m m | 3.98329; 3.98329; 10.83074 90; 90; 90 | 171.847 | Shuai Huang Personal communication to COD, 2022 |
| 3000407 | CIF | C39 H40 N2 O3 S2 | P 1 21/c 1 | 22.4116; 18.4777; 17.2409 90; 106.899; 90 | 6831.4 | Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches Chemistry – A European Journal, 2022 |
| 3000408 | CIF | C47 H44 N2 O3 S4 | P -1 | 11.4921; 16.4689; 24.1238 94.468; 93.849; 109.226 | 4277.1 | Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches Chemistry – A European Journal, 2022 |
| 3000409 | CIF | C55 H48 N2 O3 S6 | C 1 2/c 1 | 16.1211; 24.605; 27.4779 90; 106.823; 90 | 10432.9 | Augustina Jozeliūnaitė; Aiman Rahmanudin; Emilie Baudat; Saulius Gražulis; Kevin Sivula; Daniele Fazzi; Edvinas Orentas; Giuseppe Sforazzini Light-Responsive Oligothiophenes Incorporating Phothocromic Torsional Switches Chemistry – A European Journal, 2022 |
| 3000415 | CIF | C19 H20 O6 | P 21 21 21 | 6.4; 9.9684; 25.9394 90; 90; 90 | 1654.88 | Phansuang Udomputtimekakul Personal communication to COD, 2022 |
| 3000419 | CIF | Ag Cu O2 | P 63/m m c | 3.039; 3.039; 12.395 90; 90; 120 | 99.138 | Amira. T. Mohamed; M.M.Arman.; Ebtesam.E.Ateia. A facile novel synthesis of AgCuO2 delafossite nanoparticles and evaluation of their antibacterial activity Personal communication to COD, 2022 |
| 3000420 | CIF | Ag Cu O2 | R -3 m :H | 3.039101; 3.039101; 18.59 90; 90; 120 | 148.696 | Amira. T. Mohamed; M.M.Arman; Ebtesam.E.Ateia. A facile novel synthesis of AgCuO2 delafossite nanoparticles and evaluation of their antibacterial activity Personal communication to COD, 2022 |
| 3500120 | CIF HKL | C12 H32 N2 O5 S | P 1 21/n 1 | 5.7306; 30.3712; 9.9232 90; 95.852; 90 | 1718.08 | Thierry Maris dodecane-1,12-diaminium sulfate monohydrate Personal communication to COD, 2022 |
| 3500121 | CIF HKL | C6 H5 Cl N4 | P 1 21/c 1 | 8.3768; 12.0691; 6.8173 90; 91.318; 90 | 689.05 | José Manuel Méndez-Arriaga; Miguel Quirós Personal communication to COD, 2022 |
| 3500122 | CIF HKL | C10 H10 Cd I2 N10 | P -1 | 8.5479; 9.685; 11.565 82.991; 79.282; 74.526 | 904 | Noelia Santamaría; Miguel Quirós; Juan M. Salas Personal communication to COD, 2022 |
| 3500123 | CIF HKL | C30 H44 La2 N24 O19 | P 1 21/n 1 | 20.6591; 11.7739; 29.897 90; 107.089; 90 | 6951 | Noelia Santamaría; Miguel Quirós; Juan M. Salas Personal communication to COD, 2022 |
| 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 |
| 3500125 | CIF HKL | C12 H16 Cl2 Cu N8 O12 | P b c a | 13.338; 13.199; 23.572 90; 90; 90 | 4150 | Noelia Santamaría; Miguel Quirós; Juan M. Salas Personal communication to COD, 2022 |
| 3500126 | CIF HKL | C6 H8 N4 O2 | P 1 21/c 1 | 7.665; 14.324; 6.949 90; 92.975; 90 | 761.9 | José Manuel Méndez-Arriaga; Miguel Quirós 5-methyl-7-hydroxy-1,2,4-triazolo-[1,5-a]-pyrimidine mononydrate Personal communication to COD, 2022 |
| 3500127 | CIF | Co0.8 Fe2 O4 Zn0.2 | F d -3 m :1 | 8.3877; 8.3877; 8.3877 90; 90; 90 | 590.104 | Taju Ahmed Effects of Lanthanum doped cobalt-zinc ferrite on structural and magnetic properties (Co0.8 Zn0.2 Fe2-x Lax O4) Personal communication to COD, 2022 |
| 3500128 | CIF HKL | C3 H9 Al O9 | R -3 :H | 9.5544; 9.5544; 16.9655 90; 90; 120 | 1341.23 | Mohanty, Chetna; Maris, Thierry; Wuest, James D. Aluminium Formate Trihydrate Personal communication to COD, 2022 |
| 3500129 | CIF HKL | C12 H7 Br4 N | P 1 21 1 | 9.8662; 3.9711; 17.3372 90; 105.352; 90 | 655.03 | Lautmann, Michael; Maris, Thierry; Wuest, James D. 2,2',4,4'-tetrabromodiphenylamine Personal communication to COD, 2022 |
| 3500130 | CIF HKL | C41 H52 O12 | I 41/a :2 | 26.1308; 26.1308; 5.4539 90; 90; 90 | 3724.02 | Maris, Thierry; Laliberté, Dominic; Wuest, James D. tetrakis[(3,5-dimethoxybenzyloxy) methyl]methane Personal communication to COD, 2022 |
| 3500131 | CIF HKL | C12 H8 N2 O4 S | C 1 2/c 1 | 7.3431; 14.0371; 11.816 90; 103.573; 90 | 1183.9 | Maris, Thierry; Laliberté, Dominic; Raymond, Nathalie; Wuest, James D. Bis(4-nitrophenyl) sulfide 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 |
| 4004059 | CIF | C20 H32 Cl5 N2 Sb | P 1 n 1 | 18.4709; 9.53635; 18.6873 90; 114.223; 90 | 3001.86 | Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield Chemistry of Materials, 2022, 34, 537-546 |
| 4004060 | CIF | C8 H20 Cl5 N2 Sb | P b c a | 11.7848; 11.8754; 23.334 90; 90; 90 | 3265.57 | Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield Chemistry of Materials, 2022, 34, 537-546 |
| 4004061 | CIF | C8 H20 I4 N2 O2 Pb | C 1 2/c 1 | 9.392; 8.6729; 23.2152 90; 94.5715; 90 | 1885 | Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M. Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning Chemistry of Materials, 2022, 34, 756-767 |
| 4004062 | CIF | C4 H10 I3 N O Pb | P 21 21 21 | 8.1767; 8.7039; 16.5225 90; 90; 90 | 1175.89 | Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M. Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning Chemistry of Materials, 2022, 34, 756-767 |
| 4004063 | CIF | C4 H5 N3 | P b c a | 10.906; 5.7031; 15.132 90; 90; 90 | 941.2 | Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)− Chemistry of Materials, 2022, 34, 1976-1984 |
| 4004064 | CIF | C4 H8 N3 O3 P | P 1 21 1 | 4.536; 17.4264; 4.7517 90; 95.35; 90 | 373.97 | Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)− Chemistry of Materials, 2022, 34, 1976-1984 |
| 4004065 | CIF | C24 H22 Cd I4 N4 O2 | C 1 c 1 | 20.5433; 9.6018; 15.8277 90; 102.817; 90 | 3044.27 | Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials, 2022, 34, 1737-1745 |
| 4004066 | CIF | C12 H11 Br N2 O | P 1 21/c 1 | 12.4902; 7.3161; 13.3109 90; 106; 90 | 1169.22 | Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials, 2022, 34, 1737-1745 |
| 4004067 | CIF | C12 H11 I N2 O | P 1 21/c 1 | 12.5159; 7.5277; 13.7218 90; 106.358; 90 | 1240.48 | Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials, 2022, 34, 1737-1745 |
| 4004068 | CIF | C24 H22 Br4 Cd N4 O2 | P -1 | 9.2789; 9.3226; 16.7163 97.28; 90.319; 94.783 | 1429.18 | Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric Chemistry of Materials, 2022, 34, 1737-1745 |
| 4004069 | CIF | C6 H9 Br4 N3 Pb | C 1 2/c 1 | 16.3428; 9.061; 18.5386 90; 101.743; 90 | 2687.8 | Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity Chemistry of Materials, 2022, 34, 1699-1709 |
| 4004070 | CIF | C6 H9 Cl4 N3 Pb | P -1 | 8.7977; 8.8461; 9.5142 105.05; 96.33; 115.707 | 622.8 | Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity Chemistry of Materials, 2022, 34, 1699-1709 |
| 4004071 | CIF | C6 H9 I4 N3 Pb | C 1 2/c 1 | 17.0883; 9.4534; 19.6226 90; 101.866; 90 | 3102.1 | Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity Chemistry of Materials, 2022, 34, 1699-1709 |
| 4004072 | CIF | Ga2 Ir3 La | P 6/m m m | 5.5884; 5.5884; 3.9063 90; 90; 120 | 105.65 | Gui, Xin; Cava, Robert J. LaIr3Ga2: A Superconductor Based on a Kagome Lattice of Ir Chemistry of Materials, 2022, 34, 2824-2832 |
| 4004073 | CIF | C19 H29 N5 | P 1 21/c 1 | 16.1515; 6.0242; 20.0589 90; 109.261; 90 | 1842.48 | Huang, Xianhui; Shangguan, Zhichun; Zhang, Zhao-Yang; Yu, Chunyang; He, Yixin; Fang, Dong; Sun, Wenjin; Li, Yan-Chun; Yuan, Chenrui; Wu, Si; Li, Tao Visible-Light-Induced Reversible Photochemical Crystal–Liquid Transitions of Azo-Switches for Smart and Robust Adhesives Chemistry of Materials, 2022, 34, 2636-2644 |
| 4004074 | CIF | C32 H48 Ag Cl8 Fe N4 | C 1 2 1 | 38.6306; 7.3226; 7.2843 90; 90.585; 90 | 2060.45 | Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials, 2022, 34, 2813-2823 |
| 4004075 | CIF | C36 H56 Ag Cl8 Fe N4 | P 1 21 1 | 7.7313; 35.4619; 7.7347 90; 90.807; 90 | 2120.39 | Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials, 2022, 34, 2813-2823 |
| 4004076 | CIF | C32 H48 Cl8 Fe N4 Na | P 1 21/c 1 | 7.25334; 39.2496; 7.18736 90; 90.6398; 90 | 2046.05 | Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials, 2022, 34, 2813-2823 |
| 4004077 | CIF | C8 H28 Ag Cl8 In N4 | P -1 | 7.7161; 7.8117; 9.3428 102.735; 91.155; 90.898 | 549.06 | Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials, 2022, 34, 2813-2823 |
| 4004078 | CIF | C8 H28 Ag Cl8 Fe N4 | P -1 | 7.5923; 10.8224; 13.3237 76.162; 89.632; 89.618 | 1062.96 | Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites Chemistry of Materials, 2022, 34, 2813-2823 |
| 4004079 | CIF | Al3 K Na2 O12 Si3 | P -1 | 7.94578; 5.1687; 15.1654 89.848; 93.6133; 89.9481 | 621.593 | Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E. HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility Chemistry of Materials, 2022, 34, 7159 |
| 4004080 | CIF | Al3 K Na2 O12 Si3 | P m n 21 | 15.1422; 8.125613; 5.176215 90; 90; 90 | 636.88 | Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E. HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility Chemistry of Materials, 2022, 34, 7159 |
| 4004081 | CIF | Cs Gd S2 | R -3 m :H | 4.11724; 4.11724; 24.0408 90; 90; 120 | 352.933 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
| 4004082 | CIF | Cs Gd S2 | P 63/m m c | 4.11494; 4.11494; 16.0144 90; 90; 120 | 234.838 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
| 4004083 | CIF | Gd2 O2 S | P -3 m 1 | 3.8535; 3.8535; 6.6663 90; 90; 120 | 85.729 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
| 4004084 | CIF | Gd2 O3 | I a -3 | 10.8113; 10.8113; 10.8113 90; 90; 90 | 1263.67 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
| 4004085 | CIF | Gd2 S3 | P n m a | 7.3424; 3.93196; 15.2841 90; 90; 90 | 441.25 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
| 4004086 | CIF | Gd10 S19 | P 42/n :2 | 8.7147; 8.7147; 15.8569 90; 90; 90 | 1204.27 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
| 4004087 | CIF | Gd K S2 | R -3 m :H | 4.07711; 4.07711; 21.917 90; 90; 120 | 315.513 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
| 4004088 | CIF | Gd Li S2 | F m -3 m | 5.52988; 5.52988; 5.52988 90; 90; 90 | 169.101 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
| 4004089 | CIF | Gd Na S2 | R -3 m :H | 4.01349; 4.01349; 19.9189 90; 90; 120 | 277.869 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
| 4004090 | CIF | Gd Rb S2 | R -3 m :H | 4.09729; 4.09729; 22.874 90; 90; 120 | 332.557 | Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P. 'NaGdS2: a promising sulfide for cryogenic magnetic cooling' Chemistry of Materials, 2022, 34, 1829-1837 |
| 4004099 | CIF | Br3 Li6 N | F m -3 m | 8.9254; 8.9254; 8.9254 90; 90; 90 | 711.02 | Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification Chemistry of Materials, 2022, 34, 9098-9103 |
| 4004100 | CIF | Br Li | F m -3 m | 5.5058; 5.5058; 5.5058 90; 90; 90 | 166.902 | Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification Chemistry of Materials, 2022, 34, 9098-9103 |
| 4004101 | CIF | Br2 Li5 N | I m m m | 6.0336; 11.8257; 3.91 90; 90; 90 | 278.98 | Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification Chemistry of Materials, 2022, 34, 9098-9103 |
| 4004102 | CIF | I3 Li6 N | F m -3 m | 9.53495; 9.53495; 9.53495 90; 90; 90 | 866.873 | Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification Chemistry of Materials, 2022, 34, 9098-9103 |
| 4004103 | CIF | I Li7 N2 | F d -3 m :2 | 10.3755; 10.3755; 10.3755 90; 90; 90 | 1116.93 | Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification Chemistry of Materials, 2022, 34, 9098-9103 |
| 4004104 | CIF | Br2 Cl Li6 N | F m -3 m | 8.8099; 8.8099; 8.8099 90; 90; 90 | 683.77 | Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification Chemistry of Materials, 2022, 34, 9098-9103 |
| 4004105 | CIF | Cl Li | F m -3 m | 5.3509; 5.3509; 5.3509 90; 90; 90 | 153.21 | Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification Chemistry of Materials, 2022, 34, 9098-9103 |
| 4004106 | CIF | Br I2 Li6 N | F m -3 m | 9.2615; 9.2615; 9.2615 90; 90; 90 | 794.41 | Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification Chemistry of Materials, 2022, 34, 9098-9103 |
| 4004107 | CIF | I Li7 N2 | F d -3 m :2 | 10.3772; 10.3772; 10.3772 90; 90; 90 | 1117.48 | Mi, Ruixiang; Hu, Sanlue; Xiao, Zewen Rock-Salt-Ordered Nitrohalide Double Antiperovskites: Theoretical Design and Experimental Verification Chemistry of Materials, 2022, 34, 9098-9103 |
| 4038972 | CIF | C26 H29 Mo2 O7 P W | P 1 21/n 1 | 10.4841; 20.5016; 13.3506 90; 105.05; 90 | 2771.16 | Alvarez, M. Angeles; Casado-Ruano, Melodie; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A. Reactions of the unsaturated methyl-bridged complexes [Mo2Cp2(μ-CH3)(μ-P Bu2)(CO)x] (x = 1, 2) towards transition metal carbonyls: convenient dehydrogenative route to heterometallic methylidyne-bridged clusters Journal of Organometallic Chemistry, 2022, 959, 122206 |
| 4038973 | CIF | C25 H31 Fe Mo2 O6 P | P 1 21/n 1 | 17.3932; 17.6468; 18.7329 90; 113.905; 90 | 5256.55 | Alvarez, M. Angeles; Casado-Ruano, Melodie; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A. Reactions of the unsaturated methyl-bridged complexes [Mo2Cp2(μ-CH3)(μ-P Bu2)(CO)x] (x = 1, 2) towards transition metal carbonyls: convenient dehydrogenative route to heterometallic methylidyne-bridged clusters Journal of Organometallic Chemistry, 2022, 959, 122206 |
| 4038989 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 16.44; 17.2113; 14.4688 90; 116.005; 90 | 3679.5 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038990 | CIF HKL | C8 H4 N8 | P 21 21 21 | 4.9738; 12.2716; 14.6059 90; 90; 90 | 891.49 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038991 | CIF HKL | C8 H4 N8 | P -1 | 16.4145; 17.1201; 19.7351 76.729; 85.855; 89.965 | 5383 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038992 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 16.423; 17.1344; 25.7615 90; 97.989; 90 | 7178.9 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038993 | CIF HKL | C8 H4 N8 | P 1 21 1 | 4.9733; 12.1827; 14.5857 90; 92.319; 90 | 883 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038994 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 8.3082; 13.8805; 8.052 90; 100.967; 90 | 911.61 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038995 | CIF HKL | C8 H4 N8 | F d d 2 | 20.2505; 33.1064; 5.3773 90; 90; 90 | 3605.1 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038996 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 6.1658; 17.1862; 8.8111 90; 102.164; 90 | 912.72 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038997 | CIF HKL | C8 H4 N8 | P 1 21 1 | 7.4796; 5.1345; 11.9958 90; 104.155; 90 | 446.699 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038998 | CIF HKL | C25.5 H20 O5.5 | C 2 2 21 | 18.3893; 18.6897; 12.66 90; 90; 90 | 4351.12 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4038999 | CIF HKL | C25 H12 O4 | P b c a | 12.8587; 8.9635; 30.2132 90; 90; 90 | 3482.34 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039000 | CIF HKL | C25 H12 O4 | P b c a | 12.955; 9.0569; 30.47 90; 90; 90 | 3575.1 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039001 | CIF HKL | C16 H16 O6 | P 1 21/n 1 | 3.8692; 13.0002; 13.4342 90; 92.021; 90 | 675.32 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039002 | CIF HKL | C12 H8 O2 | P 1 21/c 1 | 3.7666; 11.9321; 9.487 90; 90.18; 90 | 426.38 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039003 | CIF HKL | C13 H10 O2 | P n m a | 9.4974; 20.7529; 4.8353 90; 90; 90 | 953.03 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039004 | CIF HKL | C12 H4 Br4 O2 | P 1 21/n 1 | 4.8559; 10.7212; 12.4441 90; 98.773; 90 | 640.27 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039005 | CIF HKL | C12 H4 Cl4 O2 | P -1 | 7.4617; 10.9134; 11.5066 81.561; 74.206; 83.191 | 888.83 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039006 | CIF HKL | C16 H18 O2 | P 1 21/c 1 | 6.9048; 4.6436; 19.7929 90; 99.258; 90 | 626.36 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039007 | CIF HKL | C16 H16 O2 | P 1 21/n 1 | 5.1591; 11.0703; 10.7115 90; 95.006; 90 | 609.43 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039008 | CIF HKL | C16 H16 O2 | P 1 21/n 1 | 5.576; 10.2185; 10.9447 90; 90.06; 90 | 623.61 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039009 | CIF HKL | C22 H28 O2 | P b c a | 9.9404; 12.579; 15.1193 90; 90; 90 | 1890.52 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039010 | CIF HKL | C16 H17 O2 | P -1 | 3.9361; 8.1328; 10.09 103.215; 98.917; 94.489 | 308.46 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039011 | CIF HKL | C28 H22 Cl4 O4 | P -1 | 7.7126; 8.7927; 10.319 97.989; 102.763; 115.573 | 593.39 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039012 | CIF HKL | C14 H11 Br2 O2 | P -1 | 7.8307; 8.1915; 10.2693 75.078; 76.037; 85.769 | 617.66 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039013 | CIF HKL | C22 H18 Cl4 O4 | C 1 2/m 1 | 19.7264; 6.2955; 8.8067 90; 110.054; 90 | 1027.37 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039014 | CIF HKL | C22 H18 Br4 O4 | C 1 2/m 1 | 19.8053; 6.3558; 9.0498 90; 109.266; 90 | 1075.38 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039015 | CIF | C18 H15 Cl2 N3 Pt S | P -1 | 9.3943; 9.6599; 11.7278 68.234; 76.018; 64.339 | 886.73 | Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines Journal of Inorganic Biochemistry, 2022, 227, 111688 |
| 4039016 | CIF | C21 H20 Cl2 N4 Pt S | P -1 | 9.5617; 11.1072; 11.4558 66.525; 77.155; 74.355 | 1065.48 | Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines Journal of Inorganic Biochemistry, 2022, 227, 111688 |
| 4039017 | CIF | C6 H7 Cl2 N3 Pt S | C 1 2/m 1 | 16.2764; 6.7492; 8.8152 90; 95.47; 90 | 963.96 | Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines Journal of Inorganic Biochemistry, 2022, 227, 111688 |
| 4039018 | CIF | C7 H9 Cl2 N3 Pt S | P 1 21/n 1 | 9.042; 7.4539; 16.156 90; 101.815; 90 | 1065.8 | Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines Journal of Inorganic Biochemistry, 2022, 227, 111688 |
| 4039028 | CIF | C30 H28 N6 O9 S2 V3 | P 1 21/c 1 | 17.723; 22.825; 8.325 90; 100.411; 90 | 3312.2 | Satabdi Roy; Michael Böhme; Sudhir Lima; Monalisa Mohanty; Atanu Banerjee; Axel Buchholz; Winfried Plass; Sharan Rathnam; Indranil Banerjee; Werner Kaminsky; Rupam Dinda Methoxido-Bridged Lacunary Heterocubane Oxidovanadium(IV) Cluster with Azo Ligands: Synthesis, X-ray Structure, Magnetic Properties, and Antiproliferative Activity European Journal of Inorganic Chemistry, 2022, 2022, e202200109(1)-e202200109(8) |
| 4350817 | CIF | H0.36 Mo O3 | C m c m | 3.8854; 14.0556; 3.73791 90; 90; 90 | 204.13 | Keilholz, Simon; Kohlmann, Holger; Uhlenhut, Henning; Gabke, Andrea; García-Schollenbruch, Marleny In Situ X-ray Diffraction Studies on the Production Process of Molybdenum Inorganic Chemistry, 2022, 61, 10126-10132 |
| 4350830 | CIF | C19 H12 Br3 Co2 N7 S4 | P -1 | 7.1002; 8.8255; 22.2445 87.093; 86.944; 68.012 | 1289.96 | Michael Böhme; Michał Rams; Christoph Krebs; Sebastian Mangelsen; Inke Jess; Winfried Plass; Christian Näther Co(NCS)2 Chain Compound with Alternating 5- and 6-Fold Coordination: Influence of Metal Coordination on the Magnetic Properties Inorganic Chemistry, 2022, 61, 16841-16855 |
| 4350831 | CIF | C19 H12 Br3 Co2 N7 S4 | P 1 21 1 | 7.05905; 16.33462; 11.25627 90; 93.4026; 90 | 1295.64 | Michael Böhme; Michał Rams; Christoph Krebs; Sebastian Mangelsen; Inke Jess; Winfried Plass; Christian Näther Co(NCS)2 Chain Compound with Alternating 5- and 6-Fold Coordination: Influence of Metal Coordination on the Magnetic Properties Inorganic Chemistry, 2022, 61, 16841-16855 |
| 4519274 | CIF | C12 H38 Br12 N4 Pb3 | P m c 21 | 53.477; 8.4509; 8.4407 90; 90; 90 | 3814.6 | Li, Dong; Shang, Xiaoying; Wu, Wentao; Li, Xiaoqi; Xu, Zhijin; Li, Lina; Hong, Maochun; Chen, Xueyuan; Luo, Junhua Unprecedented Self-Powered Visible-Infrared Dual-Modal Photodetection Induced by a Bulk Photovoltaic Effect in a Polar Perovskite. ACS applied materials & interfaces, 2022, 14, 5608-5614 |
| 4519275 | CIF | C48 H24 Mn2 N4 O11.67 V | P 6/m m m | 32.603; 32.603; 16.679 90; 90; 120 | 15354 | Wang, Yefei; Zhao, Liang; Ji, Guanfeng; He, Cheng; Liu, Songtao; Duan, Chunying Vanadium(V<sup>IV</sup>)-Porphyrin-Based Metal-Organic Frameworks for Synergistic Bimetallic Activation of Inert C(sp<sup>3</sup>)-H Bonds. ACS applied materials & interfaces, 2022, 14, 2794-2804 |
| 4519276 | CIF | C132 Nd4.17 O36.77 Yb5.9 | P 3 m 1 | 21.8128; 21.8128; 16.9894 90; 90; 120 | 7000.5 | Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F. Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics. ACS applied materials & interfaces, 2022, 14, 3038-3047 |
| 4519277 | CIF | C132 Eu5.8 Nd3.2 O45.68 Yb0.32 | P 3 m 1 | 22.29; 22.29; 16.495 90; 90; 120 | 7097.5 | Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F. Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics. ACS applied materials & interfaces, 2022, 14, 3038-3047 |
| 4519278 | CIF | C132 Eu9.09 O44.72 | P 3 m 1 | 22.3548; 22.3548; 16.5163 90; 90; 120 | 7148 | Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F. Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics. ACS applied materials & interfaces, 2022, 14, 3038-3047 |
| 4519279 | CIF | C132 O45.32 Yb9.76 | P 3 m 1 | 21.7387; 21.7387; 16.9015 90; 90; 120 | 6917.1 | Deneff, Jacob I.; Rohwer, Lauren E. S.; Butler, Kimberly S.; Valdez, Nichole R.; Rodriguez, Mark A.; Luk, Ting S.; Sava Gallis, Dorina F. Covert MOF-Based Photoluminescent Tags via Tunable Linker Energetics. ACS applied materials & interfaces, 2022, 14, 3038-3047 |
| 4519280 | CIF | Cd2 Cs2 Ga8 S15 | I b a 2 | 11.8574; 12.9781; 17.527 90; 90; 90 | 2697.2 | Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System. ACS applied materials & interfaces, 2022, 14, 4352-4359 |
| 4519281 | CIF | Cd4 Ga3 Rb S9 | C 2 2 21 | 18.194; 18.5228; 9.8042 90; 90; 90 | 3304.1 | Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System. ACS applied materials & interfaces, 2022, 14, 4352-4359 |
| 4519282 | CIF | Cd3 Ga5 K S11 | P n a 21 | 13.0701; 11.6218; 12.2714 90; 90; 90 | 1864 | Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System. ACS applied materials & interfaces, 2022, 14, 4352-4359 |
| 4519283 | CIF | C64 H64 Cl4 Co4 F4 N8 O8 | P 1 21/c 1 | 10.159; 9.178; 17.895 90; 96.617; 90 | 1657.4 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
| 4519284 | CIF | C78 H130 Cl2 Co2 N8 O8 | P -1 | 9.1336; 12.9774; 18.9147 99.113; 96.967; 107.686 | 2074.56 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
| 4519285 | CIF | C54 H76 Co N2 O2 | P -1 | 14.2566; 14.6272; 15.6252 73.694; 69.455; 86.611 | 2925.6 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
| 4519286 | CIF | C58 H56 Cl8 Co2 N4 O8 | P 1 21/c 1 | 9.9281; 19.0648; 16.0575 90; 103.738; 90 | 2952.37 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
| 4519287 | CIF | C28 H24 Co N2 O4 | P -1 | 8.9504; 11.3578; 11.9921 84.297; 87.43; 71.693 | 1151.53 | Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J. Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands ACS Catalysis, 2022, 1905-1918 |
| 4519288 | CIF | C20 H21 F2 N O3 Si | P 1 | 9.1912; 12.9247; 18.6126 97.232; 97.041; 109.612 | 2033.8 | Fang, Xiaowu; Wen, Songwei; Jin, Peishen; Bao, Wenjing; Liu, Shanshan; Cong, Hengjiang; Shen, Xiao Synthesis of Enantioenriched Fluorinated Enol Silanes Enabled by Asymmetric Reductive Coupling of Fluoroalkylacylsilanes and 1,3-Enynes and Brook Rearrangement ACS Catalysis, 2022, 2150-2157 |
| 4519289 | CIF | C32 H40 B2 F3 Fe N O6 | P 21 21 21 | 11.6087; 12.4217; 22.4749 90; 90; 90 | 3240.88 | Zou, Xiaoliang; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao Chiral Bidentate Boryl Ligand-Enabled Iridium-Catalyzed Enantioselective Dual C–H Borylation of Ferrocenes: Reaction Development and Mechanistic Insights ACS Catalysis, 2022, 1830-1840 |
| 4519290 | CIF | C22 H24 Cl N O4 S | P 1 21 1 | 9.8706; 5.4872; 20.3442 90; 95.248; 90 | 1097.26 | Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction ACS Catalysis, 2022, 1784-1790 |
| 4519291 | CIF | C20 H21 N O4 S | C 1 2 1 | 22.954; 8.0412; 10.4938 90; 94.297; 90 | 1931.5 | Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction ACS Catalysis, 2022, 1784-1790 |
| 4519292 | CIF | C20 H21 N O4 S | P 21 21 21 | 5.3884; 14.8582; 23.6108 90; 90; 90 | 1890.33 | Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction ACS Catalysis, 2022, 1784-1790 |
| 4519293 | CIF | C12 H18 O3 | P 21 21 21 | 4.6204; 7.0144; 36.1467 90; 90; 90 | 1171.49 | Gu, Xue-Song; Xiong, Ying; Yang, Fan; Yu, Na; Yan, Pu-Cha; Xie, Jian-Hua; Zhou, Qi-Lin Enantioselective Hydrogenation toward Chiral 3-Aryloxy Tetrahydrofurans Enabled by Spiro Ir-PNN Catalysts Containing an Unusual 5-Substituted Chiral Oxazoline Unit ACS Catalysis, 2022, 2206-2211 |
| 4519294 | CIF | C51 H60 Co N4 O11 S2 | P 1 21/c 1 | 13.1519; 27.2945; 14.7065 90; 97.54; 90 | 5233.6 | Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization ACS Catalysis, 2022, 1650-1656 |
| 4519295 | CIF | C26 H20 N2 O | C 1 2/c 1 | 30.4714; 7.81348; 16.8852 90; 96.0459; 90 | 3997.8 | Zhang, He; Sun, Meng-Chan; Yang, Dandan; Li, Tong; Song, Mao-Ping; Niu, Jun-Long Cobalt(II)-Catalyzed Activation of C(sp3)–H Bonds: Organic Oxidant Enabled Selective Functionalization ACS Catalysis, 2022, 1650-1656 |
| 4519296 | CIF | C42 H42 N2 Ni O5 P2 S | P 1 21/n 1 | 11.9758; 27.1961; 12.687 90; 107.865; 90 | 3932.9 | Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling ACS Catalysis, 2022, 12, 1475-1480 |
| 4519297 | CIF | C48 H51 N Ni O5 P2 S | P -1 | 10.7191; 12.009; 18.2064 82.6614; 76.5673; 71.5732 | 2158.89 | Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling ACS Catalysis, 2022, 12, 1475-1480 |
| 4519298 | CIF | C40 H40 B2 Cl3 Cu F8 N4 O2 | P 21 21 21 | 13.07; 14.339; 21.988 90; 90; 90 | 4120.8 | Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles ACS Catalysis, 2022, 12, 1012-1017 |
| 4519299 | CIF | C41 H48 Cu F6 N4 O10 S2 | P 21 21 21 | 14.6616; 15.7092; 19.6198 90; 90; 90 | 4518.9 | Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles ACS Catalysis, 2022, 12, 1012-1017 |
| 4519300 | CIF | C24 H21 N | C 1 2/c 1 | 24.644; 7.0908; 20.5784 90; 91.432; 90 | 3594.9 | Rodriguez, Jessica; Vesseur, David; Tabey, Alexis; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier Au(I)/Au(III) Catalytic Allylation Involving π-Allyl Au(III) Complexes ACS Catalysis, 2022, 12, 993-1003 |
| 4519301 | CIF | C20 H19 N O4 S | P 1 21/c 1 | 14.4266; 7.4071; 33.2757 90; 96.682; 90 | 3531.66 | He, Qiyuan; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto Palladium-Catalyzed Site-Selective [5 + 1] Annulation of Aromatic Amides with Alkenes: Acceleration of β-Hydride Elimination by Maleic Anhydride from Palladacycle ACS Catalysis, 2022, 12, 1595-1600 |
| 4519302 | CIF | C28 H37 N O3 | C 1 2/c 1 | 27.2805; 9.5063; 18.9097 90; 92.819; 90 | 4898.04 | Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P. Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds ACS Catalysis, 2022, 12, 1357-1363 |
| 4519303 | CIF | C25 H36 N O3 | C 1 2/c 1 | 24.2586; 10.3745; 18.8315 90; 93.703; 90 | 4729.4 | Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P. Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds ACS Catalysis, 2022, 12, 1357-1363 |
| 4519304 | CIF | C16 H15 N O | P -1 | 4.86815; 8.4796; 15.0305 75.423; 85.496; 84.466 | 596.74 | Leclair, Alexandre; Wang, Qian; Zhu, Jieping Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine ACS Catalysis, 2022, 12, 1209-1215 |
| 4519305 | CIF | C19 H17 N O | P b c n | 26.2423; 15.2953; 7.4169 90; 90; 90 | 2977.02 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
| 4519306 | CIF | C36 H35 N3 O8 | P -1 | 6.8134; 14.9283; 16.487 87.748; 78.963; 79.267 | 1617.11 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
| 4519307 | CIF | C23 H25 N5 O4 | P 21 21 21 | 6.36481; 17.9645; 18.8399 90; 90; 90 | 2154.17 | Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands ACS Catalysis, 2022, 1732-1741 |
| 4519308 | CIF | C34 H21 N3 | I 1 2/a 1 | 16.9883; 11.5454; 25.4733 90; 104.9; 90 | 4828.3 | Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application ACS Omega, 2022, 7, 3722-3730 |
| 4519309 | CIF | C34 H21 N3 | P 1 21/c 1 | 5.4935; 23.625; 18.7705 90; 91.838; 90 | 2434.9 | Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application ACS Omega, 2022, 7, 3722-3730 |
| 4519310 | CIF | C34 H24 N2 | P c c n | 22.7897; 11.5629; 18.4891 90; 90; 90 | 4872.2 | Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application ACS Omega, 2022, 7, 3722-3730 |
| 4519311 | CIF | C15 H15 N3 O3 S | P -1 | 8.6805; 9.276; 10.4682 75.499; 83.008; 67.834 | 755.39 | Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides. ACS omega, 2022, 7, 2160-2169 |
| 4519312 | CIF | C13 H11 N3 O S | P n a 21 | 9.9488; 12.8366; 18.5222 90; 90; 90 | 2365.4 | Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides. ACS omega, 2022, 7, 2160-2169 |
| 4519313 | CIF | C62 H44 Cl4 Eu2 N10 O12 | P 1 21/n 1 | 12.1286; 11.7919; 21.603 90; 92.461; 90 | 3086.8 | Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong 3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence. ACS omega, 2022, 7, 2604-2612 |
| 4519314 | CIF | C62 H44 Cl4 Dy2 N10 O12 | P 1 21/n 1 | 12.0593; 11.7251; 21.6822 90; 92.72; 90 | 3062.33 | Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong 3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence. ACS omega, 2022, 7, 2604-2612 |
| 4519315 | CIF | C62 H44 Cl4 N10 O12 Tb2 | P 1 21/n 1 | 12.0765; 11.7333; 21.6298 90; 92.55; 90 | 3061.85 | Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong 3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence. ACS omega, 2022, 7, 2604-2612 |
| 4519316 | CIF | C62 H44 Cl4 Gd2 N10 O12 | P 1 21/n 1 | 12.0936; 11.7499; 21.6432 90; 92.625; 90 | 3072.24 | Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong 3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence. ACS omega, 2022, 7, 2604-2612 |
| 4519317 | CIF | C66 H137 Br La N11 O16 | P 1 21/c 1 | 29.689; 14.194; 20.253 90; 108.716; 90 | 8083 | Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G. Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs. ACS omega, 2022, 7, 3073-3082 |
| 4519318 | CIF | C22 H46 Br N2 O0.5 | P 1 21 1 | 5.8282; 6.931; 56.791 90; 92.934; 90 | 2291.1 | Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G. Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs. ACS omega, 2022, 7, 3073-3082 |
| 4519319 | CIF | C2 Ca O5 | I -4 2 d | 6.994; 6.994; 9.897 90; 90; 90 | 484.1 | König, Jannes; Spahr, Dominik; Bayarjargal, Lkhamsuren; Gavryushkin, Pavel N.; Sagatova, Dinara; Sagatov, Nursultan; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn Novel Calcium sp3 Carbonate CaC2O5-I4̅2d May Be a Carbon Host in Earth’s Lower Mantle ACS Earth and Space Chemistry, 2022, 6, 73-80 |
| 4519320 | CIF | C138 Nd6 O64 Yb6 | P 3 | 40.2698; 40.2698; 23.9273 90; 90; 120 | 33603.4 | Sava Gallis, Dorina F.; Butler, Kimberly S.; Pearce, Charles J.; Valdez, Nichole; Rodriguez, Mark A. Programmable Photoluminescence via Intrinsic and DNA-Fluorophore Association in a Mixed Cluster Heterometallic MOF. ACS applied materials & interfaces, 2022, 14, 10566-10576 |
| 4519321 | CIF | C6 H6 N10 O10 | P 1 21/c 1 | 9.314; 5.943; 13.344 90; 97.847; 90 | 731.7 | Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials. ACS applied materials & interfaces, 2022, 14, 10594-10604 |
| 4519322 | CIF | C6 K2 N10 O8 | P 1 21/c 1 | 8.998; 4.7624; 15.5601 90; 99.744; 90 | 657.16 | Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials. ACS applied materials & interfaces, 2022, 14, 10594-10604 |
| 4519323 | CIF | C6 H4 N6 O6 | P b c a | 8.7185; 10.9411; 18.8132 90; 90; 90 | 1794.59 | Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials. ACS applied materials & interfaces, 2022, 14, 10594-10604 |
| 4519324 | CIF | C6 H12 N12 O10 | P -1 | 7.1996; 10.1924; 11.2601 101.457; 92.636; 99.304 | 796.55 | Zhang, Guojie; Yi, Zhenxin; Cheng, Guangbin; Yang, Wei; Yang, Hongwei Polynitro-Functionalized Azopyrazole with High Performance and Low Sensitivity as Novel Energetic Materials. ACS applied materials & interfaces, 2022, 14, 10594-10604 |
| 4519325 | CIF | C28 H23 N3 O9 Sr | I 41/a :2 | 28.5283; 28.5283; 13.6804 90; 90; 90 | 11134 | Wang, Zhonghe; Zeng, Le; He, Cheng; Duan, Chunying Metal-Organic Framework-Encapsulated Anthraquinone for Efficient Photocatalytic Hydrogen Atom Transfer. ACS applied materials & interfaces, 2022, 14, 7980-7989 |
| 4519326 | CIF | C49 H34 Ca3 N4 O24 | P -1 | 10.0392; 15.8473; 18.4586 73.212; 86.207; 72.155 | 2675.43 | Li, Wen-Bin; Chen, Xiong-Hai; Chen, Jia-Zhe; Huang, Rong; Ye, Jia-Wen; Chen, Ling; Wang, Hai-Ping; Yang, Tao; Tang, Liu-Yan; Bai, Jie; Mo, Zong-Wen; Chen, Xiao-Ming Photochromic Metal-Organic Framework for High-Resolution Inkless and Erasable Printing. ACS applied materials & interfaces, 2022, 14, 8458-8463 |
| 4519327 | CIF | C18 H22 O3 | P 21 21 21 | 8.9764; 10.4533; 16.0723 90; 90; 90 | 1508.11 | Peng, Yaqin; Gao, Chenghua; Zhang, Zili; Wu, Shijie; Zhao, Jing; Li, Aitao A Chemoenzymatic Strategy for the Synthesis of Steroid Drugs Enabled by P450 Monooxygenase-Mediated Steroidal Core Modification ACS Catalysis, 2022, 2907-2914 |
| 4519328 | CIF | C30 H50 N3 O3 Sc Si2 | P -1 | 9.295; 9.951; 18.689 96.21; 96.947; 109.414 | 1597.9 | Belli, Roman G.; Tafuri, Victoria C.; Joannou, Matthew V.; Roberts, Courtney C. d0 Metal-Catalyzed Alkyl–Alkyl Cross-Coupling Enabled by a Redox-Active Ligand ACS Catalysis, 2022, 3094-3099 |
| 4519329 | CIF | C22 H19 Fe N O3 | P 1 21 1 | 6.7812; 22.3955; 12.8222 90; 105.197; 90 | 1879.19 | Wang, Quannan; Nie, Yu-Han; Liu, Chen-Xu; Zhang, Wen-Wen; Wu, Zhi-Jie; Gu, Qing; Zheng, Chao; You, Shu-Li Rhodium(III)-Catalyzed Enantioselective C–H Activation/Annulation of Ferrocenecarboxamides with Internal Alkynes ACS Catalysis, 2022, 3083-3093 |
| 4519330 | CIF | C23 H18 O | P -1 | 8.8621; 10.1071; 10.9059 93.225; 112.881; 109.629 | 827.8 | Abel-Snape, Xavier; Wycich, Gina; Lautens, Mark Synthesis of Indenes and Benzofulvenes via a Palladium-Catalyzed Three-Component Reaction ACS Catalysis, 2022, 3291-3301 |
| 4519331 | CIF | C17 H14 O4 | P 21 21 21 | 6.37486; 13.7162; 15.6002 90; 90; 90 | 1364.06 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
| 4519332 | CIF | C11 H10 O4 | P 1 21/c 1 | 7.4832; 16.3724; 8.0317 90; 109.335; 90 | 928.53 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
| 4519333 | CIF | C7 H10 O4 | P 1 21/n 1 | 6.8234; 9.9156; 10.9182 90; 93.902; 90 | 737 | Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W. Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates ACS Catalysis, 2022, 2854-2860 |
| 4519334 | CIF | C20 H45 B F4 N2 Ni O P2 | P -1 | 9.7943; 10.8646; 13.9683 100.077; 105.481; 107.418 | 1313.2 | Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S. Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex ACS Catalysis, 2022, 2729-2740 |
| 4519335 | CIF | C32 H57.25 B2 F8 N2.5 Ni P2 | P -1 | 12.173; 20.1578; 33.802 106.291; 97.137; 92.346 | 7874.6 | Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S. Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex ACS Catalysis, 2022, 2729-2740 |
| 4519336 | CIF | C25 H36 Fe N2 Si | C m c e | 18.7305; 14.4274; 17.8945 90; 90; 90 | 4835.7 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519337 | CIF | C37 H57 B Fe N2 | P n m a | 19.2143; 20.1989; 9.3011 90; 90; 90 | 3609.83 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519338 | CIF | C29 H41 B Fe N2 | C 1 2/c 1 | 18.1664; 12.4604; 23.9387 90; 94.823; 90 | 5399.59 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519339 | CIF | C42 H52 Fe2 N4 | P n m a | 21.9805; 16.4818; 10.6196 90; 90; 90 | 3847.25 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519340 | CIF | C42 H50 Fe N4 | P 1 21/n 1 | 10.9682; 17.6194; 18.8246 90; 95.32; 90 | 3622.24 | Linford-Wood, Thomas G.; Mahon, Mary F.; Grayson, Matthew N.; Webster, Ruth L. Iron-Catalyzed H/D Exchange of Primary Silanes, Secondary Silanes, and Tertiary Siloxanes ACS Catalysis, 2022, 2979-2985 |
| 4519341 | CIF | C21 H19 Fe N O6 | P 1 21 1 | 7.6105; 8.0429; 15.2788 90; 101.481; 90 | 916.51 | Lv, Xiaokang; Xu, Jun; Sun, Cuiyun; Su, Fen; Cai, Yuanlin; Jin, Zhichao; Chi, Yonggui Robin Access to Planar Chiral Ferrocenes via N-Heterocyclic Carbene-Catalyzed Enantioselective Desymmetrization Reactions ACS Catalysis, 2022, 12, 2706-2713 |
| 4519342 | CIF | C16 H17 N3 O3 | P 1 21/n 1 | 11.5366; 9.0589; 30.02 90; 98.806; 90 | 3100.4 | Wang, Chang-An; Rahman, Md. Mahbubur; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki–Miyaura Cross-Coupling of Alkyl Amides ACS Catalysis, 2022, 12, 2426-2433 |
| 4519343 | CIF | C55 H52 Br Co N2 P2 | P 1 21/c 1 | 10.276; 26.264; 17.399 90; 103.191; 90 | 4571.9 | Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Minami, Yasunori; Sekiguchi, Akira; Iizuka, Kosuke; Nakajima, Yumiko Radical Hydrodehalogenation of Aryl Halides with H2 Catalyzed by a Phenanthroline-Based PNNP Cobalt(I) Complex ACS Catalysis, 2022, 12, 2320-2329 |
| 4519344 | CIF | C13 H16 Cl N O2 | P 1 21 1 | 6.5842; 11.023; 8.603 90; 101.266; 90 | 612.35 | Highland, Jaclyn N.; Morris, Patrick J.; Konrath, Kylie M.; Riggs, Lace M.; Hagen, Natalie R.; Zanos, Panos; Powels, Chris F.; Moaddel, Ruin; Thomas, Craig J.; Wang, Amy Q.; Gould, Todd D. Hydroxynorketamine Pharmacokinetics and Antidepressant Behavioral Effects of (2<i>,</i>6)- and (5<i>R</i>)-Methyl-(2<i>R,</i>6<i>R</i>)-hydroxynorketamines. ACS chemical neuroscience, 2022, 13, 510-523 |
| 4519345 | CIF | C24.94 H34.88 B3 Cl1.88 N2 O8 | P 1 21/n 1 | 18.071; 7.8493; 21.159 90; 101.232; 90 | 2943.8 | Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids ACS Omega, 2022, 7, 7257-7277 |
| 4519346 | CIF | C21 H20 O4 | C 1 2/c 1 | 11.62; 10.769; 13.577 90; 98.985; 90 | 1678.1 | Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids ACS Omega, 2022, 7, 7257-7277 |
| 4519347 | CIF | C24 H24 O4 | P 1 21/n 1 | 10.6564; 7.937; 22.4894 90; 97.249; 90 | 1886.9 | Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids ACS Omega, 2022, 7, 7257-7277 |
| 4519348 | CIF | C19 H14 Cl2 O2 | P 21 21 2 | 5.08; 27.367; 5.5795 90; 90; 90 | 775.7 | Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids ACS Omega, 2022, 7, 7257-7277 |
| 4519349 | CIF | Al2 Cl Li O6 | P -3 1 m | 5.1098; 5.1098; 7.1704 90; 90; 120 | 162.137 | Venkataraman, Kavitha; Thomas, Grace S. Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study. ACS omega, 2022, 7, 5393-5400 |
| 4519350 | CIF | Al2 Li N O9 | C 1 2/m 1 | 5.0877; 8.814; 9.0504 90; 100.51; 90 | 399.04 | Venkataraman, Kavitha; Thomas, Grace S. Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study. ACS omega, 2022, 7, 5393-5400 |
| 4519351 | CIF | C32 H18 Br4 N4 | P 1 21/c 1 | 12.6185; 12.3442; 17.9746 90; 103.4; 90 | 2723.6 | Boice, Geneviève N; Patrick, Brian O.; Hicks, Robin G. Diindolylamine Preparation and Stability Investigations. ACS omega, 2022, 7, 5197-5205 |
| 4519352 | CIF | C15 H15 N O | P c a 21 | 10.631; 13.873; 8.6997 90; 90; 90 | 1283.1 | Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Saqib; Ahmed, Gulzar; Al-Sehemi, Abdullah G; Alarfaji, Saleh S.; Ibraheem Khan, Muhammad Ehtisham Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives. ACS omega, 2022, 7, 5217-5230 |
| 4519353 | CIF | C15 H23 F N2 O5 | P 21 21 21 | 6.5137; 15.684; 17.611 90; 90; 90 | 1799.2 | Pons, Amandine; Decaens, Jonathan; Najjar, Riham; Otog, Nansalmaa; Arribat, Mathieu; Jolly, Sandrine; Couve-Bonnaire, Samuel; Sebban, Muriel; Coadou, Gael; Oulyadi, Hassan; Speybrouck, David; Iwasa, Seiji; Charette, André B; Poisson, Thomas; Jubault, Philippe Fluorocyclopropane-Containing Proline Analogue: Synthesis and Conformation of an Item in the Peptide Chemist's Toolbox. ACS omega, 2022, 7, 4868-4878 |
| 4519354 | CIF | C10 H6 N6 O3 | P -1 | 5.6104; 5.738; 17.8464 91.354; 92.008; 92.293 | 573.53 | Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A. Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights. ACS omega, 2022, 7, 5008-5031 |
| 4519355 | CIF | C11 H18 N6 O2 | C 1 2/c 1 | 16.633; 6.8163; 25.874 90; 90.625; 90 | 2933.3 | Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A. Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights. ACS omega, 2022, 7, 5008-5031 |
| 4519356 | CIF | C26 H21 N O4 | P 1 21/c 1 | 8.7961; 16.2533; 14.8259 90; 93.4435; 90 | 2115.77 | Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents. ACS omega, 2022, 7, 5713-5729 |
| 4519357 | CIF | C29 H19 N O | P 1 21/c 1 | 10.0432; 9.4172; 22.1188 90; 98.0439; 90 | 2071.39 | Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents. ACS omega, 2022, 7, 5713-5729 |
| 4519358 | CIF | C24 H17 N O | P 1 21/n 1 | 6.264; 17.8352; 15.8767 90; 97.605; 90 | 1758.14 | Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents. ACS omega, 2022, 7, 5713-5729 |
| 4519359 | CIF | C32.25 H30.5 Cl0.5 N2 O3 | P b c n | 14.8518; 15.7023; 25.8545 90; 90; 90 | 6029.5 | Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents. ACS omega, 2022, 7, 5713-5729 |
| 4519360 | CIF | C8 H10 Co N2 O5 | P 1 21/c 1 | 7.1468; 17.7533; 8.5534 90; 103.318; 90 | 1056.06 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
| 4519361 | CIF | C6 H6 Co N2 O4 | C 1 2/c 1 | 12.1608; 7.5544; 8.6393 90; 90.528; 90 | 793.64 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
| 4519362 | CIF | C8 H16 Co N2 O8 | P n n m | 10.316; 7.114; 9.458 90; 90; 90 | 694.1 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
| 4519363 | CIF | C4 H12 Co O8 | P 1 21/c 1 | 7.4075; 14.8143; 7.7787 90; 99.741; 90 | 841.3 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
| 4519364 | CIF | C8 H12 Co N2 O6 | C 1 2/c 1 | 12.7414; 6.7729; 13.4227 90; 107.659; 90 | 1103.75 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
| 4519365 | CIF | C12 H16 Co2 N2 O10 | P -1 | 7.7368; 9.0843; 11.321 90.118; 99.312; 97.756 | 777.78 | D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N. Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection. ACS omega, 2022, 7, 5698-5712 |
| 4519366 | CIF | C12 H9 N O | P 1 21/c 1 | 9.335; 5.768; 8.261 90; 103.17; 90 | 433.11 | Kaltenegger, Martin; Delaive, Louis; Gali, Sai Manoj; Brocorens, Patrick; Werzer, Oliver; Riegler, Hans; Geerts, Yves Henri; Lazzaroni, Roberto; Resel, Roland; Liu, Jie Molecular Packing of Phenoxazine: A Combined Single-Crystal/Crystal Structure Prediction Study Crystal Growth & Design, 2022, 22, 1548-1553 |
| 4519367 | CIF | C48 H40 O8 | P 1 21/n 1 | 11.44; 5.98; 12.43 90; 108.06; 90 | 808.5 | Hipwell, Vince M.; Zee, Chih-Te; Rodriguez, Jose; Garcia-Garibay, Miguel A. Scale-Dependent Photosalience and Topotactic Reaction of Microcrystalline Benzylidenebutyrolactone Determined by Electron Microscopy and Electron Diffraction Crystal Growth & Design, 2022, 22, 1533-1537 |
| 4519368 | CIF | C12 H10 O2 | P 1 21/n 1 | 10.83; 5.86; 13.42 90; 108.32; 90 | 808.5 | Hipwell, Vince M.; Zee, Chih-Te; Rodriguez, Jose; Garcia-Garibay, Miguel A. Scale-Dependent Photosalience and Topotactic Reaction of Microcrystalline Benzylidenebutyrolactone Determined by Electron Microscopy and Electron Diffraction Crystal Growth & Design, 2022, 22, 1533-1537 |
| 4519369 | CIF | C26 H20 Cu2 F6 N8 O5 Zr | C m m m | 17.105; 28.211; 15.588 90; 90; 90 | 7522 | Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap. ACS applied materials & interfaces, 2022, 14, 13550-13559 |
| 4519370 | CIF | C26 H19 Cu2 F6 N8 O5 Ti | C m m m | 28.1998; 16.7324; 15.648 90; 90; 90 | 7383.5 | Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap. ACS applied materials & interfaces, 2022, 14, 13550-13559 |
| 4519371 | CIF | C26 H20 Cu2 F6 N8 O5 Si | C m m m | 28.295; 16.336; 15.6802 90; 90; 90 | 7247.8 | Wang, Huijie; Duan, Yuefeng; Wang, Ying; Huang, Yuhang; Ge, Kai; Wang, Suna; Zheng, Baishu; Wang, Zhaoxu; Bai, Junfeng; Duan, Jingui Anion Regulates <b>scu</b> Topological Porous Coordination Polymers into the Acetylene Trap. ACS applied materials & interfaces, 2022, 14, 13550-13559 |
| 4519372 | CIF | C54 H45 N4 O15 P4 U | I 41/a :2 | 38.087; 38.087; 16.6075 90; 90; 90 | 24091 | Zhao, Hongxia; Qi, Chao; Yan, Xuewu; Ji, Jinyan; Chai, Zhifang; Wang, Shuao; Zheng, Tao A Multifunctional Porous Uranyl Phosphonate Framework for Cyclic Utilization: Salvages, Uranyl Leaking Prevention, and Fluorescent Sensing. ACS applied materials & interfaces, 2022, 14, 14380-14387 |
| 4519373 | CIF | C10 H22 Br2 Cu N | P b c a | 13.832; 12.061; 17.097 90; 90; 90 | 2852.25 | Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators. ACS applied materials & interfaces, 2022, 14, 14157-14164 |
| 4519374 | CIF | C24 H20 Br2 Cu P | P 1 21/c 1 | 9.3658; 18.3538; 13.6212 90; 102.217; 90 | 2288.4 | Xu, Tingting; Li, Yunyun; Nikl, Martin; Kucerkova, Romana; Zhou, Zhengyang; Chen, Jie; Sun, Yi-Yang; Niu, Guangda; Tang, Jiang; Wang, Qian; Ren, Guohao; Wu, Yuntao Lead-Free Zero-Dimensional Organic-Copper(I) Halides as Stable and Sensitive X-ray Scintillators. ACS applied materials & interfaces, 2022, 14, 14157-14164 |
| 4519375 | CIF | C15 H17 N3 O | P -1 | 7.688; 9.1076; 10.6827 95.94; 109.12; 110.396 | 642.108 | Khake, Shrikant M.; Chatani, Naoto Rhodium(III)-Catalyzed Oxidative C–H Alkylation of Aniline Derivatives with Allylic Alcohols To Produce β-Aryl Ketones ACS Catalysis, 2022, 4394-4401 |
| 4519376 | CIF | C32 H36 F6 N3 P Pd S | C 1 c 1 | 20.3; 10.543; 15.816 90; 109.54; 90 | 3190 | Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis ACS Catalysis, 2022, 12, 3430-3443 |
| 4519377 | CIF | C34.5 H41 Cl F6 N3 P Pd S | P 1 21/c 1 | 12.153; 28.037; 21.613 90; 94.356; 90 | 7343 | Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis ACS Catalysis, 2022, 12, 3430-3443 |
| 4519378 | CIF | C19 H21 Bi F3 N | P 1 21/c 1 | 12.9594; 9.2852; 14.7567 90; 91.483; 90 | 1775.09 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
| 4519379 | CIF | C15 H14 Bi F3 | P b c a | 17.435; 9.004; 18.23 90; 90; 90 | 2861.8 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
| 4519380 | CIF | C16 H14 Bi F3 | P b c a | 9.7284; 9.7063; 30.3122 90; 90; 90 | 2862.3 | Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation ACS Catalysis, 2022, 12, 3719-3730 |
| 4519381 | CIF | C23 H22 O | P 1 21/c 1 | 6.1078; 23.368; 12.0794 90; 100.277; 90 | 1696.4 | Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W. Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers ACS Catalysis, 2022, 12, 3651-3659 |
| 4519382 | CIF | C20 H26 O2 | P -1 | 10.2627; 13.449; 14.5521 115.316; 101.172; 101.362 | 1690.21 | Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W. Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers ACS Catalysis, 2022, 12, 3651-3659 |
| 4519383 | CIF | C33 H50 N3 Ni O5 P | P 1 21/c 1 | 16.5365; 15.9821; 12.9995 90; 97.271; 90 | 3408 | Takahashi, Kohei; Sakurazawa, Yuji; Iwai, Asaki; Iwasawa, Nobuharu Catalytic Synthesis of a Methylmalonate Salt from Ethylene and Carbon Dioxide through Photoinduced Activation and Photoredox-Catalyzed Reduction of Nickelalactones ACS Catalysis, 2022, 12, 3776-3781 |
| 4519384 | CIF | C31 H49 Au F6 P Sb | P -1 | 8.7636; 13.6876; 28.412 86.489; 89.678; 77.831 | 3325.2 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519385 | CIF | C63 H81 Au F3 N2 O P Sb0.5 | P -1 | 15.519; 15.638; 17.4595 68.369; 80.53; 65.864 | 3594 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519386 | CIF | C46 H67 Au Cl P | P 21 21 21 | 12.6694; 18.1472; 18.894 90; 90; 90 | 4344 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519387 | CIF | C53 H82 Au Cl4 F6 P Sb | C 1 2/c 1 | 33.253; 13.3849; 26.02 90; 93.079; 90 | 11564.5 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519388 | CIF | C126 H159 Au2 F12 P2 Sb2 | P 1 21/n 1 | 13.714; 51.58; 18.755 90; 99.2; 90 | 13096 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519389 | CIF | C40 H55 Au Cl P | C 1 2/c 1 | 54.233; 14.371; 32.268 90; 102.216; 90 | 24580 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519390 | CIF | C32 H39 Au F6 P Sb | P 1 21/n 1 | 11.3949; 16.7262; 18.567 90; 104.78; 90 | 3421.7 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519391 | CIF | C66 H90 Au F6 N P Sb | P -1 | 15.3509; 15.473; 19.0096 95.2651; 103.141; 117.913 | 3781 | Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts ACS Catalysis, 2022, 12, 4227-4241 |
| 4519392 | CIF | C53 H59 Cl2 Co N4 O2 Zn | P -1 | 10.7552; 11.5789; 21.0514 103.464; 93.118; 103.01 | 2468.27 | de Vries, Folkert; Otten, Edwin Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand ACS Catalysis, 2022, 12, 4125-4130 |
| 4519393 | CIF | C59 H52 N8 O2 Zn2 | P -1 | 9.1508; 10.8692; 14.2352 80.73; 73.248; 67.252 | 1248.34 | de Vries, Folkert; Otten, Edwin Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand ACS Catalysis, 2022, 12, 4125-4130 |
| 4519394 | CIF | C60 H40 B Cl2 F4 N | P 1 21/n 1 | 8.5453; 22.0815; 24.6638 90; 97.013; 90 | 4619.1 | Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene. ACS omega, 2022, 7, 8665-8674 |
| 4519395 | CIF | C51 H45 N Si2 | P -1 | 11.0371; 13.4132; 15.606 70.893; 73.798; 74.546 | 2057 | Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene. ACS omega, 2022, 7, 8665-8674 |
| 4519396 | CIF | C52 H47 Cl2 N Si2 | P 1 21/n 1 | 8.2706; 34.0842; 15.5666 90; 94.273; 90 | 4376 | Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene. ACS omega, 2022, 7, 8665-8674 |
| 4519397 | CIF | C20 H12 S | P 1 21/c 1 | 15.5106; 4.9274; 18.1757 90; 99.752; 90 | 1369.04 | Gazdag, Tamás; Mayer, Péter J; Kalapos, Péter Pál; Holczbauer, Tamás; El Bakouri, Ouissam; London, Gábor Unsymmetrical Thienopentalenes: Synthesis, Optoelectronic Properties, and (Anti)aromaticity Analysis. ACS omega, 2022, 7, 8336-8349 |
| 4519398 | CIF | C27 H20 Co2 N2 O12 S | C 1 2/c 1 | 44.87; 8.909; 14.807 90; 90.851; 90 | 5918 | Rothman, Jeffrey H. Synthesis of Endocyclic Cycloalkyne Amino Acids. ACS omega, 2022, 7, 9053-9060 |
| 4519399 | CIF | C52 H42 F4 N4 | P -1 | 9.2143; 12.7406; 12.62 85.167; 73.242; 71.786 | 1347.51 | Chou, Pallas; Kim, Lauren; Marzouk, Sammer M.; Sun, Rui; Hartnett, Alaina C.; Dogutan, Dilek K.; Zheng, Shao-Liang; Nocera, Daniel G. Synthesis, Characterization, and Hydrogen Evolution Activity of Metallo-<i>meso</i>-(4-fluoro-2,6-dimethylphenyl)porphyrin Derivatives. ACS omega, 2022, 7, 8988-8994 |
| 4519400 | CIF | C23 H39 N O14 | P 1 21 1 | 9.5087; 7.8793; 18.5965 90; 91.407; 90 | 1392.87 | Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations. ACS omega, 2022, 7, 8906-8918 |
| 4519401 | CIF | C25 H43 N O14 | P 1 21 1 | 9.41201; 7.9414; 19.98256 90; 97.5366; 90 | 1480.68 | Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations. ACS omega, 2022, 7, 8906-8918 |
| 4519402 | CIF | C26 H45 N O14 | P 1 21 1 | 9.41164; 7.95651; 20.651 90; 100.299; 90 | 1521.51 | Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations. ACS omega, 2022, 7, 8906-8918 |
| 4519403 | CIF | C49 H36 Au2 P2 S4 | P 1 n 1 | 14.3012; 8.9089; 16.767 90; 96.005; 90 | 2124.5 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
| 4519404 | CIF | C108 H87 Au4 Cl8 P4 S8 | P -1 | 16.0501; 17.0934; 20.701 91.582; 108.552; 96.765 | 5333.93 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
| 4519405 | CIF | C111 H98 Au4 O3 P4 S8 | P b c n | 18.48; 16.1182; 33.0678 90; 90; 90 | 9849.7 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
| 4519406 | CIF | C50 H38 Au2 P2 S4 | P 1 21/n 1 | 12.3768; 16.5846; 21.3999 90; 101.368; 90 | 4306.46 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
| 4519407 | CIF | C34 H20 S4 | P 1 21/n 1 | 21.019; 7.8788; 46.469 90; 97.275; 90 | 7633.5 | Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution. ACS omega, 2022, 7, 9594-9601 |
| 4519408 | CIF | C24 H48 N6 Si2 | P 1 21/c 1 | 10.2644; 15.054; 10.2555 90; 119.67; 90 | 1376.9 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
| 4519409 | CIF | C24 H48 N6 Si2 | P 1 21/n 1 | 10.0211; 17.9266; 15.5703 90; 103.901; 90 | 2715.2 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
| 4519410 | CIF | C22 H46 N4 O9 Si2 | P -1 | 10.2419; 11.9781; 13.8119 72.61; 89.884; 68.752 | 1496.25 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
| 4519411 | CIF | C14 H28 N2 O4 Si2 | P 1 21/c 1 | 18.6575; 6.3147; 16.0768 90; 96.139; 90 | 1883.25 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
| 4519412 | CIF | C24 H40 Cl6 N4 O8 Si2 | P -1 | 9.773; 11.6396; 16.0521 86.509; 75.909; 86.201 | 1765.26 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
| 4519413 | CIF | C16 H32 N2 O4 Si2 | P -1 | 7.6684; 8.5044; 8.923 67.142; 66.196; 88.7 | 484.36 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
| 4519414 | CIF | C28 H48 Cl6 N4 O8 Si2 | P 1 21/c 1 | 9.3555; 19.1906; 10.8119 90; 91.602; 90 | 1940.38 | Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior. ACS omega, 2022, 7, 9527-9536 |
| 4519415 | CIF | C15 H12 F3 N O2 | A e a 2 | 26.638; 13.754; 7.5085 90; 90; 90 | 2751 | Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M. Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration. ACS omega, 2022, 7, 9867-9878 |
| 4519416 | CIF | C17 H12 F N O | P 1 21 1 | 7.1922; 7.5334; 12.289 90; 100.816; 90 | 654 | Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M. Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration. ACS omega, 2022, 7, 9867-9878 |
| 4519417 | CIF | C15 H15 N O | P 21 21 21 | 7.6501; 12.0632; 13.6914 90; 90; 90 | 1263.5 | Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation ACS Omega, 2022, 7, 10568-10579 |
| 4519418 | CIF | C16 H17 N O2 | P 21 21 21 | 5.731; 12.9388; 18.826 90; 90; 90 | 1395.99 | Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation ACS Omega, 2022, 7, 10568-10579 |
| 4519419 | CIF | C24 H26 O5 | P 1 21/n 1 | 8.6522; 32.232; 14.3606 90; 97.169; 90 | 3973.5 | Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P. Structure–Property Relationships of Dibenzylidenecyclohexanones ACS Omega, 2022, 7, 10087-10099 |
| 4519420 | CIF | C22 H22 O3 | P 1 21/c 1 | 8.8899; 9.4022; 20.6943 90; 100.172; 90 | 1702.54 | Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P. Structure–Property Relationships of Dibenzylidenecyclohexanones ACS Omega, 2022, 7, 10087-10099 |
| 4519421 | CIF | C24 H28 N2 O | C m c 21 | 21.798; 8.9774; 9.6932 90; 90; 90 | 1896.9 | Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P. Structure–Property Relationships of Dibenzylidenecyclohexanones ACS Omega, 2022, 7, 10087-10099 |
| 4519422 | CIF | C22 H22 O S2 | P 1 21/n 1 | 9.2176; 22.382; 18.333 90; 103.619; 90 | 3675.9 | Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P. Structure–Property Relationships of Dibenzylidenecyclohexanones ACS Omega, 2022, 7, 10087-10099 |
| 4519423 | CIF | C20 H18 O | P 1 21/c 1 | 9.4669; 18.2488; 9.3371 90; 115.269; 90 | 1458.72 | Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P. Structure–Property Relationships of Dibenzylidenecyclohexanones ACS Omega, 2022, 7, 10087-10099 |
| 4519424 | CIF | Na4 P2 S6 | I m -3 m | 8.4851; 8.4851; 8.4851 90; 90; 90 | 610.9 | Scholz, Tanja; Schneider, Christian; Terban, Maxwell W.; Deng, Zeyu; Eger, Roland; Etter, Martin; Dinnebier, Robert E.; Canepa, Pieremanuele; Lotsch, Bettina V. Superionic Conduction in the Plastic Crystal Polymorph of Na4P2S6 ACS Energy Letters, 2022, 1403-1411 |
| 4519425 | CIF | C4 H3 Na O5 | P 1 c 1 | 3.6294; 8.1444; 9.4044 90; 97.981; 90 | 275.29 | Zhang, Xiaodong; Cao, Dongxu; Yang, Daqing; Wang, Ying; Wu, Kui; Lee, Ming-Hsien; Zhang, Bingbing Finding the First Squarates Nonlinear Optical Crystal NaHC4O4·H2O with Strong Second Harmonic Generation and Giant Birefringence ACS Materials Letters, 2022, 572-576 |
| 4519426 | CIF | C25 H15 N O4 | P -1 | 8.6432; 11.0448; 11.1069 62.407; 72.632; 84.054 | 896.1 | Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai Metal-Free C–C Cross Coupling: Electrosynthesis of Azaheterocycles through Anodic Oxidation Cyclization of 1,6-Enynes ACS Sustainable Chemistry & Engineering, 2022, 10, 3288-3294 |
| 4519427 | CIF HKL | C34 H64 N O8.5 | C 1 2 1 | 28.0367; 7.5296; 17.7558 90; 113.99; 90 | 3424.5 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
| 4519428 | CIF HKL | C30 H57 N O6 | P 1 21 1 | 13.9188; 7.9078; 14.5323 90; 110.581; 90 | 1497.44 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
| 4519429 | CIF HKL | C32 H63 N O7 | P 1 21 1 | 13.6675; 7.5914; 16.113 90; 97.613; 90 | 1657.08 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
| 4519430 | CIF HKL | C30 H53 N O4 | P 1 21 1 | 10.2444; 7.6716; 18.0614 90; 90.471; 90 | 1419.41 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
| 4519431 | CIF HKL | C32 H59 N O4 | P 1 21 1 | 11.8383; 7.727; 17.0565 90; 104.126; 90 | 1513.06 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
| 4519432 | CIF HKL | C30 H59 N O6 | P 21 21 21 | 7.573; 11.0104; 36.2681 90; 90; 90 | 3024.1 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
| 4519433 | CIF HKL | C27 H49 N O3 | P 1 21 1 | 12.9687; 6.8993; 14.8695 90; 106.707; 90 | 1274.3 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
| 4519434 | CIF HKL | C27 H49 N O3 | P 1 21 1 | 9.8247; 7.5533; 17.2646 90; 96.125; 90 | 1273.87 | Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D. Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids Crystal Growth & Design, 2022, 22, 3505-3517 |
| 4519435 | CIF HKL | C22 H22 Cl2 Co N22 O8 | P 1 21/c 1 | 17.4712; 11.0286; 17.8449 90; 111.32; 90 | 3203.1 | Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes ACS Applied Energy Materials, 2022, 5, 11077-11090 |
| 4519436 | CIF HKL | C22 H22 Cl2 N22 Ni O8 | C 1 2/c 1 | 18.678; 10.7344; 16.0745 90; 98.829; 90 | 3184.7 | Khaoula Chair; Cesar Augusto Luna Caceres; Sanil Rajak; Olivier Schott; Gustavo E. Ramírez-Caballero; Thierry Maris; Garry S. Hanan; Adam Duong Photocatalytic Carbon Dioxide Reduction and Density Functional Theory Investigation of 2,6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine and Its Cobalt and Nickel Complexes ACS Applied Energy Materials, 2022, 5, 11077-11090 |
| 4519447 | CIF | C2 Mg O6 Ra | R -3 m :H | 5.1227; 5.1227; 17.2957 90; 90; 120 | 393.067 | Pimentel, Carlos; Pina, Carlos M.; Sainz-Díaz, C. Ignacio New Insights into Dolomite and Dolomite-Analogue Structures from First Principles Calculations ACS Earth and Space Chemistry, 2022, 6, 2360-2367 |
| 7061065 | CIF | C29 H27 N O4 | P 1 21/n 1 | 13.578; 11.198; 15.831 90; 94.443; 90 | 2399.8 | Hazarika, Hemanta; Chutia, Kangkana; Das, Babulal; Gogoi, Pranjal One-pot synthesis of 3-substituted-3-hydroxyindolin-2-ones: three component coupling of N-protected isatin, aryne precursor and 1,3-cyclodione under metal-free conditions New Journal of Chemistry, 2022, 46, 86-96 |
| 7061067 | CIF | C30 H32.5 N4 O5.25 | P 1 21/c 1 | 9.7391; 25.2387; 11.2459 90; 93.42; 90 | 2759.3 | Shatokhin, Stanislav S.; Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Markova, Alina A.; Pozdnyakov, Dmitry I.; Denisov, Gleb L.; Melnikova, Elizaveta K.; Bulychev, Boris M.; Oganesyan, Eduard T. Synthesis, cytotoxicity and antioxidant activity of new 1,3-dimethyl-8-(chromon-3-yl)-xanthine derivatives containing 2,6-di-tert-butylphenol fragments New Journal of Chemistry, 2022, 46, 621-631 |
| 7061068 | CIF | C114 H108 Al Cl4 N64 O53 | I 1 2/c 1 | 28.162; 22.226; 28.39 90; 90.21; 90 | 17770 | Luo, Guangyan; Meng, Ye; Zhang, Lin; Li, Xiaoyue; Tao, Zhu; Zhang, Qianjun Selective recognition of aluminum ions using an esculetin@Q[8] host–guest supramolecular fluorescent probe New Journal of Chemistry, 2022, 46, 97-102 |
| 7061080 | CIF | C38 H35 O6 Sn | P -1 | 11.815; 11.9686; 12.7177 67.247; 78.484; 85.626 | 1625.06 | Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry, 2022, 46, 148-161 |
| 7061081 | CIF | C40 H40 O6 Sn | P -1 | 8.2279; 12.1695; 18.0429 85.696; 89.597; 75.392 | 1743.16 | Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry, 2022, 46, 148-161 |
| 7061082 | CIF | C40 H40 O6 Sn | P -1 | 8.2415; 12.1785; 18.0555 85.719; 89.598; 75.364 | 1748.39 | Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry, 2022, 46, 148-161 |
| 7061083 | CIF | C34 H28 O6 Sn | P 1 21/c 1 | 11.5018; 14.9532; 17.597 90; 99.344; 90 | 2986.33 | Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry, 2022, 46, 148-161 |
| 7061084 | CIF | C34 H32 O8 Sn | P 1 21/n 1 | 9.466; 16.2902; 19.8338 90; 98.453; 90 | 3025.21 | Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system New Journal of Chemistry, 2022, 46, 148-161 |
| 7061088 | CIF | C24 H27 Br N2 O6 | P -1 | 10.1274; 10.9703; 11.701 105.831; 108.602; 98.017 | 1148.2 | Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines New Journal of Chemistry, 2022, 46, 592-598 |
| 7061089 | CIF | C34 H32 N2 O6 | P -1 | 9.569; 10.7671; 14.771 95.207; 105.767; 94.81 | 1449.2 | Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines New Journal of Chemistry, 2022, 46, 592-598 |
| 7061090 | CIF | C28 H33 N2 O6 | P -1 | 8.1765; 11.7233; 14.474 103.629; 93.336; 100.024 | 1320.6 | Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines New Journal of Chemistry, 2022, 46, 592-598 |
| 7061091 | CIF | C16 H18 O2 P S2 Tl | P 1 21/c 1 | 10.9662; 11.3253; 14.7907 90; 100.286; 90 | 1807.42 | Firdoos, Tahira; Kumar, Pretam; Radha, Anu; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K. An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations New Journal of Chemistry, 2022, 46, 832-843 |
| 7061092 | CIF | C18 H22 O2 P S2 Tl | P -1 | 8.4373; 9.6672; 12.6725 107.092; 95.785; 90.443 | 982.2 | Firdoos, Tahira; Kumar, Pretam; Radha, Anu; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K. An insight into triel bonds in O,O′-diarylphosphorodithioates of thallium(i): experimental and theoretical investigations New Journal of Chemistry, 2022, 46, 832-843 |
| 7061093 | CIF | C29 H18 Br N3 S2 | P -1 | 9.7483; 11.0899; 13.2845 94.979; 109.185; 114.518 | 1191.75 | Chernick, Erin T.; Abdollahi, Maryam F.; Tabasi, Zahra A.; Junge, Marc J.; Zhao, Yuming Study of a carbazole–bromobenzothiadiazole derived fluorescent molecular rotor: crystal structure, redox activity, and solvatofluorochromic effects New Journal of Chemistry, 2022, 46, 572-581 |
| 7061094 | CIF | C25 H31 Cl N3 P | P 21 21 21 | 10.1489; 12.9048; 19.8932 90; 90; 90 | 2605.4 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061095 | CIF | C52 H64 B2 Cl2 F8 N6 P2 Pd | P 1 21/c 1 | 12.9302; 18.6083; 22.9758 90; 92.54; 90 | 5522.8 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061096 | CIF | C53 H68 Cl4 N6 O P2 Pd | P 1 21/c 1 | 21.5183; 14.4903; 19.5743 90; 115.795; 90 | 5495.2 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061097 | CIF | C28 H36 Cl2 N3 O P Pd | P 1 21/c 1 | 8.573; 32.934; 21.093 90; 96.416; 90 | 5918.2 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061098 | CIF | C25 H30 N3 P Se | P 1 21/c 1 | 14.1735; 9.6026; 17.3982 90; 96.21; 90 | 2354.04 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061099 | CIF | C27 H36 Cl2 N3 O P Pt S | P 1 21/c 1 | 13.5803; 10.3485; 21.273 90; 96.195; 90 | 2972.16 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061100 | CIF | C25.4 H30.8 Cl2.8 N3 P Pt | P 4/n :2 | 25.1425; 25.1425; 8.4349 90; 90; 90 | 5332.1 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061101 | CIF | C25 H31 Cl N3 P Se | P b c a | 11.1802; 13.5729; 33.3512 90; 90; 90 | 5060.97 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061102 | CIF | C27 H34 Cl3 N4 P Pd | P -1 | 9.3439; 10.3772; 16.5278 91.699; 97.475; 110.848 | 1479.94 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061103 | CIF | C39 H54 Cl2 N3 O2 P Pt | P 1 21/n 1 | 10.7829; 27.7176; 13.6704 90; 94.11; 90 | 4075.2 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061104 | CIF | C28 H35 Cl N3 P Pd | P 1 21/c 1 | 8.6425; 13.5124; 24.174 90; 97.545; 90 | 2798.6 | Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr Coordination behaviour of a hybrid phosphinoguanidine ligand New Journal of Chemistry, 2022, 46, 1060-1071 |
| 7061105 | CIF | C40 H48 N2 O2 | P 1 21/c 1 | 36.4315; 7.1569; 6.7041 90; 92.239; 90 | 1746.67 | Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching New Journal of Chemistry, 2022, 46, 1339-1346 |
| 7061106 | CIF | C40 H48 N2 O2 | P -1 | 8.3073; 14.2311; 15.9393 65.653; 85.245; 78.854 | 1684.4 | Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching New Journal of Chemistry, 2022, 46, 1339-1346 |
| 7061107 | CIF | C40 H48 N2 O2 | P -1 | 6.9341; 6.9886; 18.4291 94.532; 93.486; 103.581 | 862.48 | Ramya, N. K.; Femina, C.; Suresh, Suganya; Mohanakumari, Divya S.; Krishnan, Retheesh; Thomas, Reji Dicyanodistyrylbenzene based positional isomers: a comparative study of AIEE and stimuli responsive multicolour fluorescence switching New Journal of Chemistry, 2022, 46, 1339-1346 |
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