Crystallography Open Database
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Searching journal of publication like 'IUCrData' volume of publication is 7
COD ID: 1565983 | |
CIF file | Formula: - Al61.49 Mn11.35 Ni4 - Comments: Hu, Qifa; Wen, Bin; Fan, Changzeng The Al~61.49~Mn~11.35~Ni~4~ phase in the Al–Mn–Ni system IUCrData 7(1) (2022) x220038 Space group: C m c m Cell volume: 2276.93 Cell parameters: 7.6135; 23.9582; 12.4828; 90; 90; 90; |
COD ID: 1565984 | |
CIF file | Formula: - C14 H12 Br2 O2 S - Comments: Corfield, Peter W. R. [Sulfonylbis(bromomethylene)]dibenzene IUCrData 7(1) (2022) x211351 Space group: P b c a Cell volume: 2850 Cell parameters: 16.53; 12.81; 13.46; 90; 90; 90; |
COD ID: 1565985 | |
CIF file | Formula: - C22 H26 Cu N8 O4 - Comments: Liu, Lin; Han, Zheng-Bo Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II) IUCrData 7(1) (2022) x220046 Space group: P -1 Cell volume: 602.47 Cell parameters: 6.3657; 8.1428; 12.1896; 72.595; 89.376; 87.805; |
COD ID: 1566189 | |
CIF file | Formula: - C12 H26 Cl N O11 - Comments: Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P. β-<small>D</small>-Galactopyranosyl-(1→ 4)–2-amino-2-deoxy-α-<small>D</small>-glucopyranose hydrochloride monohydrate (lactosamine) IUCrData 7(1) (2022) x220061 Space group: P 1 21 1 Cell volume: 855.6 Cell parameters: 4.785; 13.523; 13.254; 90; 93.94; 90; |
COD ID: 1566249 | |
CIF file | Formula: - C16 H26.4 Ag2 K2 N2 O13.2 S4 - Comments: Pacifico, Jessica; Stoeckli-Evans, Helen Poly[dipotassium [(μ6-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate] IUCrData 7(2) (2022) Space group: P 1 21/c 1 Cell volume: 1359.7 Cell parameters: 13.386; 6.0085; 17.843; 90; 108.657; 90; |
COD ID: 1566307 | |
CIF file | Formula: - C8 H11 N O3 - Comments: Moussa Slimane, Nabila; Benarous, Nesrine; Bougueria, Hassiba; Cherouana, Aouatef 2-Hydroxybenzenaminium acetate IUCrData 7(2) (2022) x220112 Space group: P 1 21/c 1 Cell volume: 850.23 Cell parameters: 9.915; 7.2523; 11.9573; 90; 98.558; 90; |
COD ID: 1566374 | |
CIF file | Formula: - C28 H16 Cl4 Ni S4 - Comments: Koehne, Sydney; Mirmelli, Bailey; Mague, Joel T.; Donahue, James P. Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1–)]nickel(II) IUCrData 7(2) (2022) x220148 Space group: P -1 Cell volume: 1419.16 Cell parameters: 9.5487; 11.4141; 15.0254; 107.486; 94.791; 111.423; |
COD ID: 1566375 | |
CIF file | Formula: - C42 H24 - Comments: Schollmeyer, Dieter; Detert, Heiner 13,13'-Bi(dibenzo[<i>a</i>,<i>i</i>]fluorenylidene) IUCrData 7(2) (2022) x220169 Space group: C 1 2/c 1 Cell volume: 10720.7 Cell parameters: 36.615; 8.0709; 36.282; 90; 90.863; 90; |
COD ID: 1566403 | |
CIF file | Formula: - C14 H18 N6 O5 S - Comments: Peña Hueso, Adrian; Esparza Ruiz, Adriana; Flores Parra, Angelina Bis(2-aminobenzimidazolium) sulfate monohydrate IUCrData 7(2) (2022) x220172 Space group: P 1 21/c 1 Cell volume: 1779.48 Cell parameters: 12.1115; 10.6282; 17.4772; 90; 127.723; 90; |
COD ID: 1566424 | |
CIF file | Formula: - C23 H19 N O5 - Comments: Surya Prakash Rao, H.; M, Prabakaran; Muthukumaran, Jayaraman Ethyl 10-cyano-7-hydroxy-6-oxo-3-phenyl-8,9,10,10a-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromene-10-carboxylate IUCrData 7(2) (2022) x220199 Space group: P 1 21/n 1 Cell volume: 1902.6 Cell parameters: 9.7089; 14.351; 14.2749; 90; 106.946; 90; |
COD ID: 1566425 | |
CIF file | Formula: - C10 H13 Cl N3 O3 P - Comments: Chachlaki, Elpiniki; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D. 5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride IUCrData 7(2) (2022) x220189 Space group: P 1 21/c 1 Cell volume: 1290.92 Cell parameters: 11.5857; 7.0616; 16.6118; 90; 108.222; 90; |
COD ID: 1566560 | |
CIF file | Formula: - C6 H13 Cl6 N3 O2 Sn - Comments: Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine 4-Amidinopyridinium hexachloridostannate(IV) dihydrate IUCrData 7(3) (2022) x220195 Space group: P -1 Cell volume: 403.85 Cell parameters: 7.4224; 7.4518; 8.4986; 105.726; 97.426; 112.383; |
COD ID: 1566561 | |
CIF file | Formula: - C10 H14 Cl10 N4 O2 Sn - Comments: Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine Bis(2-amino-3,5-dichloropyridinium) hexachloridostannate(IV) dihydrate IUCrData 7(3) (2022) Space group: P -1 Cell volume: 597.34 Cell parameters: 7.4624; 8.4715; 10.1324; 101.434; 90.043; 107.554; |
COD ID: 1566594 | |
CIF file | Formula: - C15 H26 I N3 O6 - Comments: Lambrecht, Sina; Villinger, Alexander; Jopp, Stefan 1-(Methyl-α-<small>D</small>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate IUCrData 7(3) (2022) x220265 Space group: P 1 21 1 Cell volume: 955.8 Cell parameters: 10.816; 7.0106; 13.169; 90; 106.833; 90; |
COD ID: 1566595 | |
CIF file | Formula: - C77 H83 Cl4 K Mn N6 O8 S - Comments: Yuan, Yiwen; Li, Jianfeng ([2.2.2]Cryptand)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate IUCrData 7(3) (2022) x220241 Space group: P b c a Cell volume: 14435.3 Cell parameters: 19.5585; 24.7224; 29.8538; 90; 90; 90; |
COD ID: 1566596 | |
CIF file | Formula: - C17 H15 B F4 N2 - Comments: Welton, Claire E.; Nesterov, Vladimir N.; Smucker, Bradley W. 1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate IUCrData 7(3) (2022) x220248 Space group: P 1 21/n 1 Cell volume: 1575.54 Cell parameters: 11.426; 9.0735; 15.5434; 90; 102.118; 90; |
COD ID: 1566718 | |
CIF file | Formula: - C21 H18 N2 O - Comments: Meenatchi, C. Selva; Athimoolam, S.; Suresh, J.; Priya, R. Vishnu; Rubina, S. Raja; Bhandari, S. R. (<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one IUCrData 7(3) (2022) x220283 Space group: C 1 2/c 1 Cell volume: 3366.3 Cell parameters: 30.3989; 8.7177; 14.0581; 90; 115.367; 90; |
COD ID: 1566728 | |
CIF file | Formula: - C15 H14 Cl N5 O2 - Comments: Song, Jingjing; Jiang, Xinyu; Wang, Ziyi; Pei, Jingyao; Li, Hongsen 4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2<i>H</i>)-one IUCrData 7(3) (2022) x220342 Space group: P 1 21 1 Cell volume: 761.1 Cell parameters: 7.1533; 11.936; 9.004; 90; 98.128; 90; |
COD ID: 1566729 | |
CIF file | Formula: - C16 H9 N O2 S - Comments: Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G. 3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one IUCrData 7(3) (2022) x220332 Space group: P 1 21/c 1 Cell volume: 1206.81 Cell parameters: 4.60717; 20.7275; 12.6444; 90; 91.911; 90; |
COD ID: 1566768 | |
CIF file | Formula: - C36 H48 N4 O14 - Comments: Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. Bis(oxotremorine) fumarate bis(fumaric acid) IUCrData 7(4) (2022) Space group: P -1 Cell volume: 962.88 Cell parameters: 6.0921; 8.5778; 18.726; 94.922; 90.428; 98.945; |
COD ID: 1566790 | |
CIF file | Formula: - C26 H13 F8 I4 N3 - Comments: Bosch, Eric; Bowling, Nathan P. 5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/2) IUCrData 7(4) (2022) x220380 Space group: P -1 Cell volume: 1496.35 Cell parameters: 9.1574; 12.0339; 14.0667; 91.989; 96.924; 102.996; |
COD ID: 1566848 | |
CIF file | Formula: - C15 H11 N O3 S - Comments: Pineda, Leslie W.; Ferllini, Natasha; Cabezas, Jorge A. 1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde IUCrData 7(4) (2022) x220401 Space group: P 1 21/c 1 Cell volume: 1315.24 Cell parameters: 12.6886; 9.2655; 11.6024; 90; 105.374; 90; |
COD ID: 1566849 | |
CIF file | Formula: - C50 H38 Mn N5 O3 - Comments: Cao, Hongli; Wang, Junwen; Li, Jianfeng Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1) IUCrData 7(4) (2022) x220386 Space group: P c c n Cell volume: 7789.4 Cell parameters: 20.1021; 21.5505; 17.9807; 90; 90; 90; |
COD ID: 1566903 | |
CIF file | Formula: - C32 H29 Br N2 O10 S3 - Comments: Azzam, Rasha A.; Elgemeie, Galal H.; Gad, Nagwa M.; Jones, Peter G. 4-Amino-5-(4-bromobenzoyl)-3-(benzo[<i>d</i>]thiazol-2-yl)-2-[(2',3',4',6'-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)sulfanyl]thiophene IUCrData 7(4) (2022) x220412 Space group: P 1 21 1 Cell volume: 1696.97 Cell parameters: 16.99261; 6.02635; 17.4076; 90; 107.831; 90; |
COD ID: 1566904 | |
CIF file | Formula: - C16 H20 Cl2 N2 O4 - Comments: Obidova, Nodira; Ashurov, Jamshid; Izotova, Lidiya; Ibragimov, Bakhtiyar 2-Hydroxyethylammonium [2-(2,6-dichloroanilino)phenyl]acetate monohydrate IUCrData 7(4) (2022) x220441 Space group: P 1 21/c 1 Cell volume: 1754.04 Cell parameters: 19.1257; 9.3864; 10.0502; 90; 103.546; 90; |
COD ID: 1567009 | |
CIF file | Formula: - C21 H18 Br2 N4 - Comments: Schuster, Sara A.; Nesterov, Volodymyr V.; Smucker, Bradley W. 1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide IUCrData 7(5) (2022) x220526 Space group: F d d 2 Cell volume: 3960.45 Cell parameters: 18.0776; 48.2301; 4.5424; 90; 90; 90; |
COD ID: 1567010 | |
CIF file | Formula: - C25 H26 Br2 N4 O2 - Comments: Neal, Henry C.; Nesterov, Volodymyr V.; Smucker, Bradley W. 1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate IUCrData 7(5) (2022) x220525 Space group: P n m a Cell volume: 2489.22 Cell parameters: 15.4863; 22.2936; 7.21; 90; 90; 90; |
COD ID: 1567011 | |
CIF file | Formula: - C19 H21 I O6 S - Comments: Smith, Timothy J.; Koser, Gerald; Chen, Yi; Zeller, Matthias; Iacino, Rocco; Selzer, Nichole (Phenyliodosyl)benzene tosylate dihydrate IUCrData 7(5) (2022) x220522 Space group: P 1 21/c 1 Cell volume: 1936.92 Cell parameters: 6.1823; 24.9509; 12.7606; 90; 100.257; 90; |
COD ID: 1567082 | |
CIF file | Formula: - C17 H20 N2 O4 - Comments: Zaoui, Younes; Assila, Hamza; Mague, Joel T.; Alsubari, Abdulsalam; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate IUCrData 7(6) (2022) Space group: C 1 2/c 1 Cell volume: 3318.5 Cell parameters: 23.0488; 8.1149; 18.3223; 90; 104.454; 90; |
COD ID: 1567083 | |
CIF file | Formula: - C7 H7 Br2 N - Comments: Brihi, Ouarda; Medjani, Meriem; Bougueria, Hassiba; Djedouani, Amel; Francois, Michelle; Fleutot, Solenne; Boudjada, Ali 2,6-Dibromo-4-methylaniline IUCrData 7(6) (2022) x220577 Space group: P 21 21 21 Cell volume: 835.9 Cell parameters: 4.3773; 13.585; 14.057; 90; 90; 90; |
COD ID: 1567144 | |
CIF file | Formula: - C32 H72 Cl12 I2 Nb6 O12 - Comments: Schröder, Florian; Köckerling, Martin Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate IUCrData 7(6) (2022) x220618 Space group: P b c a Cell volume: 11978.5 Cell parameters: 19.3389; 18.1968; 34.039; 90; 90; 90; |
COD ID: 1567182 | |
CIF file | Formula: - C20 H70 N28 O34 V10 - Comments: Pérez-Benítez, Aarón; Ariza-Ramírez, Jorge Luis; Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Martínez de la Luz, María Isabel; Ramírez-Contreras, Diego; Bernès, Sylvain Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate IUCrData 7(6) (2022) x220627 Space group: P -1 Cell volume: 1499 Cell parameters: 8.9701; 13.2202; 14.0861; 99.609; 103.133; 107.676; |
COD ID: 1567183 | |
CIF file | Formula: - C8 H4 N4 Te2 - Comments: Franklin, Donna; Lee, Aundrea; Fronczek, Frank R.; Junk, Thomas [1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']dipyrazine IUCrData 7(6) (2022) x220622 Space group: P -1 Cell volume: 1478.9 Cell parameters: 7.6531; 11.7862; 16.8371; 81.35; 85.884; 80.44; |
COD ID: 1567378 | |
CIF file | Formula: - Cu61.39 S32 - Comments: Zhou, Yawei; Fan, Changzeng; Wen, Bin; Zhang, Lifeng Natural djurleite with refined composition Cu61.39S32 revealing disorder of some Cu sites IUCrData 7(7) (2022) Space group: P 1 21/n 1 Cell volume: 5693.2 Cell parameters: 26.85; 15.6862; 13.5175; 90; 90.062; 90; |
COD ID: 1567379 | |
CIF file | Formula: - C21 H19 N5 O3 - Comments: Abad, Nadeem; Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate IUCrData 7(7) (2022) Space group: P b c a Cell volume: 3707 Cell parameters: 8.8585; 18.0405; 23.1961; 90; 90; 90; |
COD ID: 1567380 | |
CIF file | Formula: - C33 H58 B Cl2 F4 Ir N3 P - Comments: Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward [(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(tricyclohexylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate dichloromethane monosolvate IUCrData 7(7) (2022) x220685 Space group: C 1 2/c 1 Cell volume: 7146.6 Cell parameters: 35.832; 10.2608; 22.034; 90; 118.095; 90; |
COD ID: 1567381 | |
CIF file | Formula: - Se0.27 Sn Te0.73 - Comments: Moris, Silvana; Galdámez, Antonio Rerefinement of the crystal structure of SnTe~0.73(2)~Se~0.27(2)~ from single-crystal X-ray diffraction data IUCrData 7(7) (2022) x220729 Space group: F m -3 m Cell volume: 233.69 Cell parameters: 6.1595; 6.1595; 6.1595; 90; 90; 90; |
COD ID: 1567405 | |
CIF file | Formula: - C9 H10 N4 O - Comments: Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef 2-Azido-<i>N</i>-(4-methylphenyl)acetamide IUCrData 7(7) (2022) x220621 Space group: P 1 21/c 1 Cell volume: 2833.11 Cell parameters: 14.4362; 21.3403; 9.2949; 90; 98.356; 90; |
COD ID: 1567501 | |
CIF file | Formula: - C24 H27 I N2 O S - Comments: Shank, Nathaniel; Stadler, Andrea L.; Barrett, Sean P.; Padgett, Clifford W. 1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate IUCrData 7(8) (2022) x220797 Space group: P -1 Cell volume: 1144.1 Cell parameters: 8.478; 10.5773; 14.5191; 95.81; 105.762; 110.651; |
COD ID: 1567532 | |
CIF file | Formula: - C34 H24 F10 Ir N4 O2 P - Comments: Shevlin, Madelyn R.; Stumbo, Emily E.; McMillen, Colin D.; Pienkos, Jared A. Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate IUCrData 7(8) (2022) x220830 Space group: P b c n Cell volume: 6525.8 Cell parameters: 41.574; 8.6065; 18.2384; 90; 90; 90; |
COD ID: 1567533 | |
CIF file | Formula: - C14 H10 Cl4 Fe2 Ga2 O4 - Comments: Harakas, George N.; Demmin, Mary Elizabeth Tetracarbonyldi-μ-chlorido-dichloridobis(η^5^-cyclopentadienyl)diirondigallium(2 <i>Fe{—</i>Ga}) IUCrData 7(8) (2022) x220832 Space group: P 1 21/c 1 Cell volume: 974.2 Cell parameters: 8.3567; 7.0331; 16.5792; 90; 91.218; 90; |
COD ID: 1567534 | |
CIF file | Formula: - C41 H50 N2 O4 - Comments: Prapakaran, Tulasi; Murugavel, Ramaswamy 4,4'-Methylenebis[<i>N</i>-(2-hydroxy-3-methoxybenzylidene)-2,6-diisopropylaniline] IUCrData 7(8) (2022) x220793 Space group: P -1 Cell volume: 1857.47 Cell parameters: 6.0155; 16.5935; 19.2093; 101.541; 97.341; 92.928; |
COD ID: 1567606 | |
CIF file | Formula: - C25 H20 F7 N3 O2 - Comments: Shimazaki, Runa; Sadakiyo, Masaaki Ethidium heptafluorobutyrate IUCrData 7(9) (2022) x220884 Space group: P 1 21/n 1 Cell volume: 4672.2 Cell parameters: 12.1592; 18.926; 20.3097; 90; 91.474; 90; |
COD ID: 1567607 | |
CIF file | Formula: - C4 H6 Cl N3 O2 - Comments: Bellia, Sophia; Anderson, Grace; Zeller, Matthias; Mirjafari, Arsalan; Hillesheim, Patrick C. 1-Methyl-5-nitroimidazolium chloride IUCrData 7(9) (2022) x220878 Space group: P 1 21/c 1 Cell volume: 701.35 Cell parameters: 6.3498; 9.8991; 11.5969; 90; 105.817; 90; |
COD ID: 1567638 | |
CIF file | Formula: - C21 H18 O4 - Comments: Sung, Jiha 3-(2,3-Dimethoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one IUCrData 7(9) (2022) x220885 Space group: P -1 Cell volume: 818.4 Cell parameters: 8.3312; 9.6506; 11.797; 94.261; 107.335; 112.326; |
COD ID: 1567639 | |
CIF file | Formula: - C20 H14 I2 N2 O2 - Comments: Blackwelder, Lauren A.; Kelley, Andrea R.; Balaich, Gary J.; Jefferies, Latisha R. 2,2'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis(4-iodophenol) IUCrData 7(9) (2022) x220895 Space group: P b c a Cell volume: 3727.28 Cell parameters: 7.4776; 19.104; 26.0919; 90; 90; 90; |
COD ID: 1567651 | |
CIF file | Formula: - C10 H13 N O2 - Comments: Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Divakara, Thayamma R.; Foro, Sabine; Butcher, Ray J. Isopropyl 4-aminobenzoate IUCrData 7(9) (2022) x220904 Space group: P -1 Cell volume: 1039.5 Cell parameters: 8.405; 11.029; 11.52; 89.1; 77.06; 87.17; |
COD ID: 1567691 | |
CIF file | Formula: - C20 H16 N2 O6 - Comments: Martínez-de la Luz, Isabel; López-Velázquez, Delia; Bernès, Sylvain; Varela Caselis, Jenaro L. Bis(4-hydroxyphenyl) 1,4-phenylenebiscarbamate IUCrData 7(9) (2022) x220919 Space group: P 1 21/c 1 Cell volume: 885.67 Cell parameters: 19.0804; 4.6758; 10.1189; 90; 101.169; 90; |
COD ID: 1567692 | |
CIF file | Formula: - C18 H16 N2 O2 - Comments: Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J. 3-Methyl-5-(4-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde IUCrData 7(9) (2022) x220924 Space group: P 1 21/c 1 Cell volume: 1508.61 Cell parameters: 8.2745; 7.9167; 23.0663; 90; 93.225; 90; |
COD ID: 1567693 | |
CIF file | Formula: - C20 H12 N2 O2 S - Comments: Okuno, Tsunehisa; Doi, Ikue 10-[(4-Nitrophenyl)ethynyl]-10<i>H</i>-phenothiazine IUCrData 7(9) (2022) x220942 Space group: P -1 Cell volume: 781.5 Cell parameters: 8.1891; 8.2417; 12.813; 81.632; 81.394; 66.649; |
COD ID: 1567694 | |
CIF file | Formula: - C21 H18 O4 - Comments: Koh, Dongsoo (<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(naphthalen-1-yl)prop-2-en-1-one IUCrData 7(9) (2022) x220932 Space group: C 1 2/c 1 Cell volume: 3254.7 Cell parameters: 15.8594; 5.0437; 40.6908; 90; 90.507; 90; |
COD ID: 1567720 | |
CIF file | Formula: - C18 H13 N O4 - Comments: Vinaya; Basavaraju, Yeriyur B.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J. 3-(3-Nitrophenyl)-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one IUCrData 7(10) (2022) x220957 Space group: P -1 Cell volume: 732.8 Cell parameters: 7.6534; 8.6079; 11.369; 94.433; 97.953; 97.019; |
COD ID: 1567765 | |
CIF file | Formula: - C49 H46 B N5 - Comments: Shimazaki, Runa; Sadakiyo, Masaaki Ethidium tetraphenylborate acetonitrile disolvate IUCrData 7(10) (2022) x220951 Space group: P -1 Cell volume: 1951.3 Cell parameters: 13.5215; 13.5537; 13.6079; 92.202; 113.379; 117.604; |
COD ID: 1567766 | |
CIF file | Formula: - C35 H57.5 N O3.25 - Comments: Campos Fernandez, Cristian; Procupez-Schtirbu, R.; Soto-Tellini, V. H.; Salazar, J. C.; Jancik, Vojtech (1<i>S</i>,3<i>R</i>)-<i>N</i>-{(3<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,17<i>R</i>)-12-Hydroxy-17-[(<i>R</i>)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate IUCrData 7(10) (2022) x220947 Space group: P 1 Cell volume: 3075.4 Cell parameters: 11.8289; 16.7287; 17.7234; 116.207; 91.0059; 100.454; |
COD ID: 1567862 | |
CIF file | Formula: - C23 H18 Fe2 S3 - Comments: Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Nuñez-Gordillo, Amairany; Klimova, Elena I. 4,5-Diferrocenyl-1,2-dithiole-3-thione IUCrData 7(10) (2022) x221011 Space group: P 1 21/c 1 Cell volume: 1957.5 Cell parameters: 11.0149; 14.0459; 13.3983; 90; 109.205; 90; |
COD ID: 1567863 | |
CIF file | Formula: - C28 H22 F N3 O S - Comments: Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J. 5-(4-Fluorophenyl)-1-[4-(4-methylphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole IUCrData 7(10) (2022) x221003 Space group: P 1 21/c 1 Cell volume: 2337.3 Cell parameters: 10.7859; 14.5638; 14.9956; 90; 97.144; 90; |
COD ID: 1567881 | |
CIF file | Formula: - C6 H8 Cl N O - Comments: Saini, Aarti; Dhanwant, Kisturi; Thirumoorthi, Ramalingam 1-Hydroxy-4-methylpyridinium chloride IUCrData 7(10) (2022) x221023 Space group: P 1 21/c 1 Cell volume: 1450.8 Cell parameters: 7.161; 26.271; 7.7474; 90; 95.495; 90; |
COD ID: 1567886 | |
CIF file | Formula: - C26 H30 N6 O4 S - Comments: Mohamed-Ezzat, Reham A.; Kariuki, Benson M.; Azzam, Rasha A. Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide IUCrData 7(11) (2022) x221033 Space group: P 1 21/n 1 Cell volume: 2588 Cell parameters: 10.4177; 11.7104; 21.5388; 90; 99.964; 90; |
COD ID: 1567903 | |
CIF file | Formula: - C63 H49 B2 F30 N4 O2 - Comments: Butcher, Ray J.; Purdy, Andrew P. 2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane-2,11-diium bis[hydroxytris(pentafluorophenyl)borate] benzene 2.5-solvate IUCrData 7(11) (2022) x221049 Space group: P -1 Cell volume: 3104.1 Cell parameters: 10.4436; 17.3961; 17.8229; 79.729; 77.923; 83.103; |
COD ID: 1567932 | |
CIF file | Formula: - C29 H25 N3 O3 S - Comments: Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J. 5-(4-Methoxyphenyl)-1-[4-(4-methoxyphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole IUCrData 7(11) (2022) x221047 Space group: P 1 21/n 1 Cell volume: 2516.9 Cell parameters: 13.9677; 9.7997; 18.4125; 90; 92.98; 90; |
COD ID: 1567933 | |
CIF file | Formula: - C38 H34 Ag N O3 P2 - Comments: Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout Bis[(4-methylphenyl)diphenylphosphane-κ<i>P</i>](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I) IUCrData 7(11) (2022) x221045 Space group: C 1 2/c 1 Cell volume: 3498.6 Cell parameters: 18.129; 11.0936; 17.9971; 90; 104.849; 90; |
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