Crystallography Open Database

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Searching journal of publication like 'Molbank'

COD ID: 1557478
CIF file Formula: - C10 H13 N O4 -
Comments: Aitken, R.; Bloomfield, Charles; McGeachie, Liam; Slawin, Alexandra Diethyl Pyrrole-2,5-Dicarboxylate Molbank 2020(1) (2020) M1117
Space group: P 1 21/n 1
Cell volume: 1049.1
Cell parameters: 15.552; 4.355; 16.234; 90; 107.41; 90;  

COD ID: 1558005
CIF file Formula: - C25 H34 O6 -
Comments: Kanno, Yuichiro; Kusakabe, Taichi; Saito, Nao; Kikkawa, Shoko; Takahashi, Keisuke; Azumaya, Isao; Nemoto, Kiyomitsu; Kato, Keisuke Improved Synthesis and Determination of the Biologically Active Diastereomer of YK11 Molbank 2020(2) (2020) M1125
Space group: P 1 21 1
Cell volume: 2450.8
Cell parameters: 15.7937; 7.4944; 20.8812; 90; 97.436; 90;  

COD ID: 1558006
CIF file Formula: - C13 H17 N O3 S2 -
Comments: Aitken, R. Alan; Fotherby, Fiona M.; Slawin, Alexandra M. Z. 2,6-exo-8,12-exo-10-Butyl-13-oxa-3,5-dithia-10-azatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione Molbank 2020(2) (2020) M1123
Space group: P 1 21/n 1
Cell volume: 1375.89
Cell parameters: 4.7803; 25.1943; 11.434; 90; 92.369; 90;  

COD ID: 1558194
CIF file Formula: - C23 H18 Br N O6 -
Comments: Ryzhkova, Yuliya E.; Ryzhkov, Fedor V.; Elinson, Michail N. 3-(4-Bromophenyl)-4-{[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl](m-tolyl)methyl}isoxazol-5(2H)-one Molbank 2020(2) (2020) M1135
Space group: P 1 21/n 1
Cell volume: 2103.43
Cell parameters: 9.4765; 9.2067; 24.1253; 90; 92.1209; 90;  

COD ID: 1558802
CIF file Formula: - C17 H16 N2 O4 -
Comments: Konstantinova, Lidia S.; Tolmachev, Mikhail A.; Popov, Vadim V.; Rakitin, Oleg A. Ethyl 11a,12-Dihydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine-5a(6H)-carboxylate Molbank 2020(3) (2020) M1149
Space group: P 21 21 21
Cell volume: 1409.84
Cell parameters: 5.5972; 15.0183; 16.7717; 90; 90; 90;  

COD ID: 1559276
CIF file Formula: - C10 H13 Cl -
Comments: Aitken, R. Alan; Slawin, Alexandra M. Z. 2,4,6-Trimethylbenzyl Chloride (α2-Chloroisodurene) Molbank 2020(3) (2020) M1156
Space group: P -1
Cell volume: 899.8
Cell parameters: 7.8666; 10.2719; 11.8789; 87.557; 77.371; 73.908;  

COD ID: 1559475
CIF file

HKL data

 Formula: - C11 H13 N O3 -
Comments: Hajib, Sara; Boukhssas, Salaheddine; Aouine, Younas; Alami, Anouar; Faraj, Hassane; Zouihri, Hafid; El Bali, Brahim; Lachkar, Mohammed 4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline Molbank 2020(4) (2020) M1163
Space group: C 1 2/c 1
Cell volume: 2090.95
Cell parameters: 15.8302; 10.138; 14.2916; 90; 114.267; 90;  

COD ID: 1559712
CIF file Formula: - C9 H14 Cu2 N6 -
Comments: Corfield, Peter W. R.; Dayrit, Joseph R. Poly[1,3-Dimethyltetrahydropyrimidin-2(1H)-iminium [tri-µ2-cyanido-κ6C:N-dicuprate(I)]] Molbank 2020(4) (2020) M1170
Space group: P 1 21/c 1
Cell volume: 1305.5
Cell parameters: 8.5598; 14.825; 10.853; 90; 108.57; 90;  

COD ID: 1559973
CIF file Formula: - C29 H40 Cl2 N2 Ni O4 -
Comments: Lukyanov, Daniil A.; Borisova, Anna S.; Levin, Oleg V. 6,6′-{[Ethane-1,2-diylbis(azaneylylidene)]bis(methaneylylidene)}bis[2-(hexyloxy)phenolato] Nickel(II) Molbank 2020(4) (2020) M1174
Space group: P -1
Cell volume: 1482.24
Cell parameters: 7.6002; 13.6714; 14.7436; 97.065; 101.868; 93.363;  

COD ID: 1560280
CIF file Formula: - C11 H16 O7 -
Comments: Aitken, R.; Haslett, Oliver; Slawin, Alexandra (S)-1-(Ethoxycarbonyl)ethyl(2R,5S)-2,5-dimethyl-1,3-dioxolan-4-one-2-carboxylate Molbank 2021(1) (2021) M1178
Space group: P 21 21 21
Cell volume: 1314.4
Cell parameters: 4.8832; 7.5868; 35.478; 90; 90; 90;  

COD ID: 1562367
CIF file Formula: - C5 H12 N2 -
Comments: Aitken, R. Alan; Sonecha, Dheirya K.; Slawin, Alexandra M. Z. Homopiperazine (Hexahydro-1,4-diazepine) Molbank 2021(2) (2021) M1200
Space group: I -4 2 d
Cell volume: 1199.9
Cell parameters: 7.208; 7.208; 23.094; 90; 90; 90;  

COD ID: 1563958
CIF file Formula: - C18 H18 N2 O5 -
Comments: Spesivaya, Ekaterina S.; Lupanova, Ida A.; Konshina, Dzhamilya N.; Konshin, Valery V. 1,2-Bis(4-(1,3-dioxolan-2-yl)phenyl)diazene Oxide Molbank 2021(2) (2021) M1224
Space group: P 1 21/c 1
Cell volume: 1581
Cell parameters: 4.5333; 21.946; 15.968; 90; 95.627; 90;  

COD ID: 1564550
CIF file Formula: - C7 H6 Cl2 -
Comments: Aitken, R. Alan; Slawin, Alexandra M. Z. 4-Chlorobenzyl Chloride Molbank 2021(3) (2021) M1265
Space group: P n a 21
Cell volume: 722.1
Cell parameters: 9.1724; 17.714; 4.444; 90; 90; 90;  

COD ID: 1564852
CIF file Formula: - C30 H24 O3 Se2 -
Comments: Kodama, Shintaro; Hung, Vu Thai; Saeki, Tomokazu; Mihara, Kei; Yamamoto, Yuki; Sonoda, Motohiro; Nomoto, Akihiro; Ogawa, Akiya 2,2-Bis(phenylselanyl)-1-(p-tolyl)vinyl 2-Oxo-2-(p-tolyl)acetate Molbank 2021(4) (2021) M1283
Space group: P 1 21/n 1
Cell volume: 2490.5
Cell parameters: 9.62321; 5.73648; 45.1254; 90; 91.229; 90;  

COD ID: 1564853
CIF file Formula: - C9 H11 Br O2 -
Comments: Aitken, R. Alan; Saab, Elizabeth A.; Slawin, Alexandra M. Z. 2,6-Dimethoxybenzyl Bromide Molbank 2021(3) (2021) M1277
Space group: P n a 21
Cell volume: 922.8
Cell parameters: 13.297; 5.033; 13.789; 90; 90; 90;  

COD ID: 1566318
CIF file Formula: - C40 H46 Ag2 N4 S4 -
Comments: Oladipo, Segun D.; Omondi, Bernard N,N′-Diarylformamidine Dithiocarbamate Ag(I) Cluster and Coordination Polymer Molbank 2022(1) (2022) M1327
Space group: P -1
Cell volume: 2002.9
Cell parameters: 8.165; 15.5778; 16.2365; 77.7; 87.359; 83.158;  

COD ID: 1566319
CIF file Formula: - C156 H210 Ag6 N12 S12 -
Comments: Oladipo, Segun D.; Omondi, Bernard N,N′-Diarylformamidine Dithiocarbamate Ag(I) Cluster and Coordination Polymer Molbank 2022(1) (2022) M1327
Space group: R -3 :H
Cell volume: 39730.1
Cell parameters: 30.0941; 30.0941; 50.6555; 90; 90; 120;  

COD ID: 1566320
CIF file Formula: - C10 H5 Cl N2 O2 S3 -
Comments: Plakas, Konstantinos; Kalogirou, Andreas S.; Kourtellaris, Andreas; Koutentis, Panayiotis A. Reaction of 4,5-Dichloro-1,2,3-dithiazolium Chloride with 2-(Phenylsulfonyl)acetonitrile Molbank 2022(1) (2022) M1322
Space group: P n a 21
Cell volume: 1212.63
Cell parameters: 14.6146; 15.4871; 5.3576; 90; 90; 90;  

COD ID: 1566321
CIF file Formula: - C14 H12 Cl2 O2 -
Comments: Aitken, R. Alan; Gidlow, Anna L. G.; Ramsewak, Russel S.; Slawin, Alexandra M. Z. 2,2′-(Ethane-1,2-diyl)bis(4-chlorophenol) Molbank 2022(1) (2022) M1318
Space group: P 1 21/c 1
Cell volume: 2543.5
Cell parameters: 8.058; 9.064; 34.864; 90; 92.718; 90;  

COD ID: 1566567
CIF file Formula: - C36 H31 N5 O -
Comments: Guillon, Jean; Savrimoutou, Solène; Albenque-Rubio, Sandra; Pinaud, Noël; Moreau, Stéphane; Desplat, Vanessa Synthesis, Crystal Structure and Anti-Leukemic Activity of 1,3-Dihydro-1-{1-[4-(4-phenylpyrrolo[1,2-a]quinoxalin-3-yl)benzyl]piperidin-4-yl}-2H-benzimidazol-2-one Molbank 2022(1) (2022) M1333
Space group: P -1
Cell volume: 1547.1
Cell parameters: 7.8563; 9.2517; 21.803; 95.923; 98.136; 96.538;  

COD ID: 1566568
CIF file Formula: - C80 H110 Cu4 O2 P6 -
Comments: Dannenberg, Steven G.; Waterman, Rory Cyclo-Tetrakis(μ-diphenylphosphido)-1,5-bis(tri-tert-butylphosphine)-Tetracopper Molbank 2022(1) (2022) M1334
Space group: P 1 21/n 1
Cell volume: 7840
Cell parameters: 17.127; 19.946; 23.841; 90; 105.715; 90;  

COD ID: 1566569
CIF file Formula: - C28 H37 Cl4 I N2 S -
Comments: Saab, Marina; Nahra, Fady; Van Hecke, Kristof Charge-Transfer Adducts of Chalcogenourea Derivatives of N-Heterocyclic Carbenes with Iodine Monochloride Molbank 2022(1) (2022) M1344
Space group: P 1 21/n 1
Cell volume: 3113.8
Cell parameters: 10.5912; 18.7089; 16.071; 90; 102.093; 90;  

COD ID: 1566570
CIF file Formula: - C30 H42 Cl3 I N2 Se -
Comments: Saab, Marina; Nahra, Fady; Van Hecke, Kristof Charge-Transfer Adducts of Chalcogenourea Derivatives of N-Heterocyclic Carbenes with Iodine Monochloride Molbank 2022(1) (2022) M1344
Space group: P 1 21/n 1
Cell volume: 3237.67
Cell parameters: 9.741; 16.9218; 19.8068; 90; 97.399; 90;  

COD ID: 1566571
CIF file Formula: - C20 H24 N6 O4 -
Comments: Lopes, Susana M. M.; Lemos, Américo; Paixão, José A.; Pinho e Melo, Teresa M. V. D. Ethyl 7-Acetyl-8a-methyl-3-(1-phenyl-1H-tetrazol-5-yl)-1,4,4a,5,6,8a-hexahydro-7H-pyrano[2,3-c]pyridazine-1-carboxylate Molbank 2022(1) (2022) M1338
Space group: P -1
Cell volume: 1047.06
Cell parameters: 9.6243; 9.859; 12.5952; 68.645; 72.467; 75.23;  

COD ID: 1566572
CIF file Formula: - C26 H31 N O12 -
Comments: Fitzgerald, Liam S.; O’Malley, Ciaran; Murphy, Paul V. (1R,2R,3S,4R)-1-(Acetylamino)-2,4,5-tris(acetyloxy)-1-((2S)-4-(benzyloxy)-5-oxo-2,5-dihydrofuran-2-yl)pentan-3-yl Acetate Molbank 2022(1) (2022) M1337
Space group: P 1 21 1
Cell volume: 1398.01
Cell parameters: 10.1989; 8.7455; 15.8721; 90; 99.068; 90;  

COD ID: 1566573
CIF file Formula: - C13 H13 Cl N2 -
Comments: Adeleke, Adesola A.; Omondi, Bernard Crystal Structure of a Chiral Sec-Amine, 4-Chloro-N-(1-(pyridin-2-yl)ethyl)aniline Molbank 2022(1) (2022) M1335
Space group: P 1 21/c 1
Cell volume: 1174.98
Cell parameters: 9.4547; 16.2237; 7.9004; 90; 104.169; 90;  

COD ID: 1566574
CIF file Formula: - C11 H10 N4 O3 -
Comments: Pokhodylo, Nazariy T.; Slyvka, Yuriy I.; Goreshnik, Evgeny A.; Obushak, Mykola D. Ethyl 5-Formyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and DFT Calculation Molbank 2022(1) (2022) M1340
Space group: C 1 c 1
Cell volume: 1130.3
Cell parameters: 23.794; 5.347; 8.9367; 90; 96.216; 90;  

COD ID: 1568599
CIF file Formula: - C12 H9 N5 -
Comments: Ershov, Ivan S.; Esikov, Kirill A.; Nesterova, Olga M.; Skryl’nikova, Mariya A.; Khramchikhin, Andrey V.; Shmaneva, Nadezda T.; Chernov, Ivan S.; Chernova, Ekaterina N.; Puzyk, Aleksandra M.; Sivtsov, Eugene V.; Pavlyukova, Yuliya N.; Trifonov, Rostislav E.; Ostrovskii, Vladimir A. 3-(5-Phenyl-2H-tetrazol-2-yl)pyridine Molbank 2023(1) (2023) M1598
Space group: I 1 2/a 1
Cell volume: 2095.29
Cell parameters: 20.845; 4.6353; 22.7163; 90; 107.329; 90;  

COD ID: 1569067
CIF file Formula: - C10 H13 Cl O3 -
Comments: Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Samigullina, Aida I.; Gubaidullin, Aidar T. 3-(2-Chloro-5-methylphenoxy)propane-1,2-diol Molbank 2023(2) (2023) M1624
Space group: P 21 21 21
Cell volume: 1015.2
Cell parameters: 4.5908; 5.6201; 39.348; 90; 90; 90;  

COD ID: 1569068
CIF file Formula: - C10 H13 Cl O3 -
Comments: Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Samigullina, Aida I.; Gubaidullin, Aidar T. 3-(2-Chloro-5-methylphenoxy)propane-1,2-diol Molbank 2023(2) (2023) M1624
Space group: P 1 21/n 1
Cell volume: 1019.1
Cell parameters: 5.4729; 8.7652; 21.37; 90; 96.201; 90;  

COD ID: 1569470
CIF file Formula: - C44 H44 -
Comments: Colon-Madera, Shakira I.; Jennings, Abby R.; Iacono, Scott T.; Balaich, Gary J. 4,5-Di-tert-butyl-1,3,6,8-tetraphenyl-4,5,8a,8b-tetrahydro-as-indacene Molbank 2023(2) (2023) M1663
Space group: P 1 21/c 1
Cell volume: 6558.33
Cell parameters: 13.6616; 19.0942; 25.6524; 90; 101.455; 90;  

COD ID: 1569471
CIF file Formula: - C44 H44 -
Comments: Colon-Madera, Shakira I.; Jennings, Abby R.; Iacono, Scott T.; Balaich, Gary J. 4,5-Di-tert-butyl-1,3,6,8-tetraphenyl-4,5,8a,8b-tetrahydro-as-indacene Molbank 2023(2) (2023) M1663
Space group: P 1 21/c 1
Cell volume: 6563.02
Cell parameters: 13.6682; 19.089; 25.666; 90; 101.462; 90;  

COD ID: 1569472
CIF file Formula: - C20 H15 Cl2 I N4 -
Comments: Aragoni, M. Carla; Lippolis, Vito; Mancini, Annalisa; Pintus, Anna; Podda, Enrico; Orton, James B.; Coles, Simon J.; Arca, Massimiliano 2-(5,6-Diphenyl-1,2,4-Triazin-3-yl)pyridinium Dichloroiodate (I) Molbank 2023(2) (2023) M1662
Space group: P 1 21/c 1
Cell volume: 2013.3
Cell parameters: 17.7427; 7.4326; 15.5351; 90; 100.659; 90;  

COD ID: 1570055
CIF file Formula: - C14 H8 Cl2 O2 S3 -
Comments: Aitken, R. Alan; Campbell, Alexandra H.; Fletcher, Chloé E.; Slawin, Alexandra M. Z. 2,2′-Trisulfanediyldibenzoyl Chloride Molbank 2023(3) (2023) M1731
Space group: F d d 2
Cell volume: 3122.9
Cell parameters: 15.1011; 48.312; 4.2805; 90; 90; 90;  

COD ID: 1570898
CIF file Formula: - C19 H30 N3 O6.5 S -
Comments: Buikin, Petr A.; Vologzhanina, Anna V.; Korlyukov, Alexander A. Sumatriptan Succinate Hemi(Ethanol Solvate) Molbank 2024(1) (2024) M1766
Space group: P 1 c 1
Cell volume: 2101
Cell parameters: 9.834; 12.609; 16.946; 90; 90.94; 90;  

COD ID: 1571120
CIF file Formula: - C202 H222 Cl12 Fe8 Ir8 N8 O -
Comments: Weigand, Stefan; Sünkel, Karlheinz Chlorido-pentamethylcyclopentadienyl-[2-(2-pyridyl-кN)-ferrocenyl-кC]-iridium(III) Molbank 2024(1) (2024) M1770
Space group: C 1 2/c 1
Cell volume: 9133.3
Cell parameters: 30.7102; 18.9149; 15.7234; 90; 90.301; 90;  


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