Crystallography Open Database

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1558052 CIFC15 H12 N4P 4118.2293; 18.2293; 15.6088
90; 90; 90
5186.9Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu
Metaelectric multiphase transitions in a highly polarizable molecular crystal.
Chemical science, 2020, 11, 6183-6192
1560413 CIFC24 H16 Gd N3 O9 ZnP 4112.2428; 12.2428; 15.1663
90; 90; 90
2273.2Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming
Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties
Journal of Solid State Chemistry, 2017, 253, 360-366
1560414 CIFC24 H16 Dy N3 O9 ZnP 4112.2203; 12.2203; 15.0611
90; 90; 90
2249.2Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming
Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties
Journal of Solid State Chemistry, 2017, 253, 360-366
1560418 CIFC24 H16 N3 O9 Yb ZnP 4112.1961; 12.1961; 14.9534
90; 90; 90
2224.2Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming
Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties
Journal of Solid State Chemistry, 2017, 253, 360-366
1560419 CIFC22 H14 Lu N5 O9 ZnP 4112.207; 12.207; 15.0352
90; 90; 90
2240.4Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming
Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties
Journal of Solid State Chemistry, 2017, 253, 360-366
1564044 CIFC13 H19 N2 Na O4P 4110.7327; 10.7327; 12.6277
90; 90; 90
1454.6Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín
Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour
Inorganica Chimica Acta, 2020, 513, 119923
1564045 CIFC13 H23 N3 O4P 4111.1542; 11.1542; 12.5224
90; 90; 90
1557.99Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín
Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour
Inorganica Chimica Acta, 2020, 513, 119923
1566579 CIFC14 H22 OP 4110.0087; 10.0087; 12.7456
90; 90; 90
1276.78Pan, Aaron; Chojnacka, Maja; Crowley, Robert; Göttemann, Lucas; Haines, Brandon E.; Kou, Kevin G. M.
Synergistic Brønsted/Lewis acid catalyzed aromatic alkylation with unactivated tertiary alcohols or di-tert-butylperoxide to synthesize quaternary carbon centers
Chemical Science, 2022
1566692 CIFC15 H19 B F2 N4P 4110.5675; 10.5675; 13.404
90; 90; 90
1496.9Zeng, Lintao; Chen, Tianhong; Zhu, Beitong; Koo, Seyoung; Tang, Yonghe; Lin, Weiying; James, Tony D.; Kim, Jong Seung
A molecular recognition platform for the simultaneous sensing of diverse chemical weapons
Chemical Science, 2022
1568585 CIFC69 H61 Cl9 Cu N3 O3 P2P 4113.2253; 13.2253; 40.325
90; 90; 90
7053.2Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor
Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency
Catalysts, 2023, 13, 386
2000623 CIF
Paper
C3 H5 N3 O5P 4110.646; 10.646; 5.752
90; 90; 90
651.9Gilardi, R.; George, C.; Flippen-Anderson, J. L.
Structure of 3-nitrato-1-nitroazetidine
Acta Crystallographica Section C, 1992, 48, 1679-1680
2001132 CIF
Paper
Ca2 O7 P2P 416.6858; 6.6858; 24.147
90; 90; 90
1079.4Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B.
Redetermination of the β-Ca~2~P~2~O~7~ structure
Acta Crystallographica Section C, 1993, 49, 2062-2064
2001279 CIF
Paper
C15 H23 N2 O2P 418.4561; 8.4561; 20.82
90; 90; 90
1488.7Olszak, T. A.; Grabowski, M. J.; Gwoździński, K.
Piperidine nitroxide radicals with heterocyclic ring substituents. I. Structure of 4-hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl)piperidine 1-oxide
Acta Crystallographica Section C, 1993, 49, 1722-1723
2003718 CIF
Paper
C24 H35 N O7 SP 4110.136; 10.136; 25.026
90; 90; 90
2571Chiaroni, A.; Riche, C.; Adonias, M.; Anaya, J.; Géro, S. D.; Tachdjian, C.
Two Methyl-Substituted Carbapenem Antibiotic Precursors
Acta Crystallographica Section C, 1995, 51, 1306-1310
2004154 CIF
Paper
C14 H18 O4P 418.535; 8.535; 17.339
90; 90; 90
1263.1Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Tyler, P. C.
1,6-Anhydro-4-<i>O</i>-benzyl-3-deoxy-2-<i>O</i>-methyl-β-<small>D</small>-<i>ribo</i>-hexopyranose and 1,6-Anhydro-4-<i>O</i>-benzyl-2-<i>C</i>-(2-cyanoethyl)-2,3-dideoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose
Acta Crystallographica Section C, 1995, 51, 2418-2421
2005181 CIF
Paper
C16 H26 O7P 4110.903; 10.903; 14.813
90; 90; 90
1760.9Linden, A.; Lee, C. K.; Siew, K. F.
3-Deoxy-3-<i>C</i>-ethoxycarbonylmethyl-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose at 173K
Acta Crystallographica Section C, 1996, 52, 1797-1799
2005974 CIF
Paper
C10 H14 O3P 417.908; 7.908; 15.15
90; 90; 90
947.4Lalancette, R. A.; Coté, M. L.; Thompson, H. W.
Hydrogen-Bonding Pattern of a Bicyclic γ-Keto Acid: ({-})-<i>anti</i>-Isoketopinic Acid
Acta Crystallographica Section C, 1997, 53, 370-372
2006665 CIF
Paper
C48 H44 B F4 P2 RhP 4110.158; 10.158; 39.7543
90; 90; 90
4102.05Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James
[(1,2,5,6-η)-1,5-Cyclooctadiene][(11<i>R</i>,12<i>R</i>)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-<i>P</i>)]rhodium(I) Tetrafluoroborate
Acta Crystallographica Section C, 1997, 53, 1577-1579
2007070 CIF
Paper
C22 H27 N O3P 4113.154; 13.154; 11.869
90; 90; 90
2054Chiaroni, Angèle; Riche, Claude; Dumas Franc̨oise; Mauduit, Marc; Miet, Christine
6-Allyl-8,8-dimethyl-3-oxo-2-(1-phenylethyl)-2-azabicyclo[4.3.0]non-1(9)-ene-5-carboxylic Acid, a Key Compound in the Asymmetric Synthesis of Quadrone
Acta Crystallographica Section C, 1998, 54, 401-403
2008103 CIF
Paper
C34 H28 F12 N8 P2 RuP 4112.3698; 12.3698; 49.306
90; 90; 90
7544.4Kianosh Lashgari; Mikael Kritikos; Rolf Norrestam; Thomas Norrby
Bis(terpyridine)ruthenium(II) bis(hexafluorophosphate) diacetonitrile solvate
Acta Crystallographica Section C, 1999, 55, 64-67
2008346 CIF
HKL
Paper
C9 H10 F2 N2 O5P 419.975; 9.975; 10.418
90; 90; 90
1036.6Hempel, Andrew; Camerman, Norman; Grierson, John; Mastropaolo, Donald; Camerman, Arthur
FF-β-<small>D</small>-Arabinofuranosyluracil
Acta Crystallographica Section C, 1999, 55, 632-633
2011262 CIF
HKL
Paper
C15 H21 Br Cl N OP 418.8863; 8.8863; 21.299
90; 90; 90
1681.9Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui
(+)-(2<i>R</i>,3<i>S</i>)-3-Bromo-2-chloro-<i>N</i>,<i>N</i>-diisopropyl-3-phenylpropanamide and (+)-(2<i>R</i>,3<i>S</i>)-3-bromo-2-chloro-<i>N</i>-(4-nitrophenyl)-3-phenylpropanamide
Acta Crystallographica Section C, 2000, 56, e354-e355
2011282 CIF
HKL
Paper
C41 H48 Br N O4P 4116.2515; 16.2515; 13.7964
90; 90; 90
3643.8Schneider, Monica; Linden, Anthony; Rippert, Andreas, J.
(<i>M</i>)- and (<i>P</i>)-8-[(1<i>S</i>,2<i>R</i>)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7<i>H</i>-dinaphth[2,1-<i>c</i>:1',2'-<i>e</i>]azepinium bromide solvates
Acta Crystallographica Section C, 2000, 56, 1004-1006
2011464 CIF
HKL
Paper
C13 H17 N3 O4P 4116.128; 16.128; 5.195
90; 90; 90
1351.3Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis
Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate
Acta Crystallographica Section C, 2000, 56, e469-e471
2012724 CIF
HKL
Paper
C40 H44 Cu2 N4 O4P 4113.2963; 13.2963; 20.6366
90; 90; 90
3648.38Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko
Enantiomeric bis(μ-<i>N</i>,<i>N</i>'-hexamethylenedisalicylaldiminato)dicopper(II) complexes
Acta Crystallographica Section C, 2002, 58, m313-m315
2014393 CIF
Paper
C4 H6 Cl3 N O4P 419.4416; 9.4416; 20.213
90; 90; 90
1801.9Rodrigues, V. H.; Matos Beja, A.; Paixão, J. A.; Costa, M. M. R. R.
Glycinium trichloroacetate
Acta Crystallographica Section C, 2006, 62, o71-o72
2016123 CIF
HKL
Paper
C19 H18 N2 O7 SP 417.1807; 7.1807; 36.171
90; 90; 90
1865.1Zhang, Jing; Zhu, Long-Guan
Different supramolecular assemblies in two 1:1 proton-transfer compounds of sulfobenzoic acids with aromatic amines
Acta Crystallographica Section C, 2007, 63, o484-o486
2016285 CIF
HKL
Paper
In0.459 K0.917 Nb0.541 O5 PP 419.3091; 9.3091; 10.9744
90; 90; 90
951.03Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Domasevitch, Konstantin V.
The complex phosphate K~0.92~In~0.46~Nb~0.54~OPO~4~: a new representative of the KTiOPO~4~ family
Acta Crystallographica Section C, 2007, 63, i105-i108
2016470 CIF
HKL
Paper
C12 H21 N O3P 418.2616; 8.2616; 17.517
90; 90; 90
1195.6Foces-Foces, C.; López-Rodríguez, M.; Pérez, C.
A case of concomitant polymorphism and spontaneous resolution: the tetragonal phase of 5-hydroxymethyl-7,7,<i>N</i>-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide
Acta Crystallographica Section C, 2008, 64, o95-o97
2020422 CIF
HKL
Paper
C14 H15 N5 O3P 4110.281404; 10.281404; 26.15892
90; 90; 90
2765.19Fischer, Franziska; Schmidt, Martin U.; Greiser, Sebastian; Emmerling, Franziska
The challenging case of the theophylline‒benzamide cocrystal
Acta Crystallographica Section C, 2016, 72, 217-224
2100298 CIF
HKL
Paper
C10 H24 Co N2 O13P 4111.425; 11.425; 27.248
90; 90; 90
3556.7Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100299 CIF
HKL
Paper
C10 H24 Co N2 O13P 4111.306; 11.306; 27.041
90; 90; 90
3456.5Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures
Acta Crystallographica Section B, 2005, 61, 675-688
2100522 CIF
HKL
Paper
C6 D7 N OP 4115.41038; 15.41038; 19.68
90; 90; 90
4673.6Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.
Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature
Acta Crystallographica Section B, 2006, 62, 627-633
2102240 CIF
Paper
C16 H28 N2 O4 S2P 4111.3877; 11.3877; 15.9829
90; 90; 90
2072.66Kojić-Prodić, Biserka; Perić, Berislav; Zoran Štefanić; Anton Meden; Makarević, Janja; Jokić, Milan; Žinić, Mladen
Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-monothiooxalyldileucine methyl ester and its dithio analogue
Acta Crystallographica Section B, 2004, 60, 90-96
2103329 CIF
Paper
C9 H12 OP 419.848; 9.864; 8.166
90; 90; 90
793.3Wójcik, Grażyna; Holband, Jolanta
Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results
Acta Crystallographica Section B, 2002, 58, 684-689
2103330 CIF
HKL
Paper
C9 H12 OP 419.859; 9.865; 8.221
90; 90; 90
799.6Wójcik, Grażyna; Holband, Jolanta
Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results
Acta Crystallographica Section B, 2002, 58, 684-689
2103331 CIF
HKL
Paper
C9 H12 OP 419.928; 9.934; 8.316
90; 90; 90
820.16Wójcik, Grażyna; Holband, Jolanta
Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results
Acta Crystallographica Section B, 2002, 58, 684-689
2104368 CIF
HKL
Paper
C18 H24 N5 O2 P3 S2P 4111.4912; 11.4912; 16.789
90; 90; 90
2216.95Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem
Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography
Acta Crystallographica Section B, 2009, 65, 355-362
2200282 CIF
HKL
Paper
C24 H37 N3 O8P 4111.698; 11.698; 19.643
90; 90; 90
2688Geßmann, Renate; Brückner, Hans; Kokkinidis, Michael
Tripeptide Z‒Aib‒Aib‒Hyp‒OMe
Acta Crystallographica Section E, 2001, 57, o492-o494
2202695 CIF
HKL
Paper
C14 H20 Cl3 N O6P 419.1926; 9.1926; 22.724
90; 90; 90
1920.3Ohba, Shigeru; Sato, Hideyuki; Iida, Masatoshi; Chida, Noritaka
(+)-Methyl (4<i>R</i>,5<i>S</i>)-4-[(<i>R</i>)-1-hydroxybut-3-enyl]-5-2,2-dimethyl-trichloroacetamido-1,3-dioxane-5-carboxylate
Acta Crystallographica Section E, 2003, 59, o1259-o1260
2204482 CIF
HKL
Paper
C15 H15 N3 O4P 417.7618; 7.7618; 24.35
90; 90; 90
1467Shang Shan; Wei-Xiao Hu; Duan-Jun Xu
3,4-Dimethoxybenzaldehyde 4-nitrophenylhydrazone
Acta Crystallographica Section E, 2004, 60, o2059-o2061
2205827 CIF
HKL
Paper
Ce4 O14 Si4P 416.7964; 6.7964; 24.7282
90; 90; 90
1142.22Bin Deng; James A. Ibers
Dicerium disilicate, Ce~2~[Si~2~O~7~]
Acta Crystallographica Section E, 2005, 61, i76-i78
2206287 CIF
HKL
Paper
C14 H30 O4 SiP 4112.3616; 12.3616; 11.1685
90; 90; 90
1706.6Fan, Hong-Tao; Schürmann, Markus; Preut, Hans; Krause, Norbert
(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-2-(<i>tert</i>-Butyldimethylsilyloxymethyl)-2,4,5-trimethyltetrahydrofuran-3,4-diol
Acta Crystallographica Section E, 2005, 61, o1987-o1988
2208534 CIF
Paper
C16 H18 In N3 O10P 419.7681; 9.7681; 19.632
90; 90; 90
1873.2Rong-Chang Zhang; Chun-Hui Yu
An indium(III) complex with pyridine-2,6-dicarboxylate
Acta Crystallographica Section E, 2006, 62, m807-m809
2208557 CIF
HKL
Paper
C14 H19 Cu N5 S2P 417.294; 7.294; 33.549
90; 90; 90
1784.9You, Zhong-Lu; Wang, Jia; Han, Xiao
[<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-(2-pyridylmethylene)ethane-1,2-diamine]dithiocyanatocopper(II)
Acta Crystallographica Section E, 2006, 62, m860-m861
2209459 CIF
HKL
Paper
C14 H14 N4 O2 S2P 418.67; 8.67; 20.927
90; 90; 90
1573.1Tatiana N. Drebushchak; Mikhail A. Mikhailenko; Elena V. Boldyreva; Tatyana P. Shakhtshneider
Tetragonal polymorph of the 1:1 adduct of sulfathiazole with pyridine
Acta Crystallographica Section E, 2006, 62, o2669-o2671
2209551 CIF
HKL
Paper
C28 H42 O2P 4111.909; 11.909; 18.083
90; 90; 90
2564.6Jin-Long Wu
(a<i>R</i>,1<i>R</i>,2<i>S</i>,5<i>R</i>)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (4-<i>tert</i>-butylcyclohexylidene)acetate
Acta Crystallographica Section E, 2006, 62, o2967-o2968
2211281 CIF
HKL
Paper
C29 H26 N4 O5 SP 4114.1908; 14.1908; 13.76
90; 90; 90
2771Liu, Hui; Wang, Hong-Qing; Liu, Zhao-Jie
Ethyl {4-[5-(3-methylphenyl)-3-methylsulfanyl-4-oxo-1-phenylpyrazolo[3,4-<i>d</i>]pyrimidin-6-yloxy]phenoxy}acetate
Acta Crystallographica Section E, 2006, 62, o5459-o5461
2212368 CIF
HKL
Paper
C13 H20 O7P 4114.1641; 14.1641; 9.2045
90; 90; 90
1846.62Michela Simone; George W. J. Fleet; David J. Watkin
3,3':5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-hydroxymethyl-<small>D</small>-<i>allono</i>-1,4-lactone: an organic structure containing large unoccupied voids
Acta Crystallographica Section E, 2007, 63, o799-o801
2213796 CIF
HKL
Paper
C70 H44 Cl8 D2 N2 O4 P2 PdP 4119.866; 19.866; 17.497
90; 90; 90
6905.3Alexander Briceño; Romano Dorta
<i>cis</i>-Dichloridobis{[(<i>S</i>)-<i>N</i>-(3,5-dioxa-4-phosphacyclohepta[2,1-<i>a</i>;3,4-<i>a</i>']dinaphthalen-4-yl]dibenz[<i>b</i>,<i>f</i>]azepin-κ<i>P</i>}palladium(II) deuterochloroform disolvate
Acta Crystallographica Section E, 2007, 63, m1718-m1719

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