Crystallography Open Database

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2104878 CIF
HKL
Paper
C16 H20 N2 O2P 17.4277; 7.4388; 13.5369
90.176; 79.737; 70.8
693.52Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald
Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives
Acta Crystallographica Section B, 2010, 66, 662-677
2105209 CIF
Paper
C5 H12 O5P 17.67982; 9.717; 4.82857
96.0388; 106.806; 96.094
339.478Derollez, Patrick; Guinet, Yannick; Affouard, Frédéric; Danède, Florence; Carpentier, Laurent; Hédoux, Alain
Structure determination of <small>L</small>-arabinitol by powder X-ray diffraction
Acta Crystallographica Section B, 2012, 68, 407-411
2105446 CIF
Paper
C4 H10 OP 15.10141; 5.53079; 9.0323
79.0266; 75.7579; 78.8261
239.586Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent
Structure determination of the crystalline phase of <i>n</i>-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy
Acta Crystallographica Section B, 2013, 69, 195-202
2105547 CIF
Paper
C32 H43 N O3P 114.417; 6.0303; 17.564
88.736; 101.43; 93.135
1494.4Hager, O.; Foces-Foces, C.; Llamas-Saiz, A. L.; Weber, E.
Temperature-Dependent Phase Transitions in Two Crystalline Host‒Guest Complexes Derived from Mandelic Acid
Acta Crystallographica Section B, 1998, 54, 82-93
2105595 CIF
Paper
C8 H16 N4 O6P 15.0668; 9.7572; 13.141
111.11; 92.75; 91.97
604.4Chandra, N. R.; Prabu, M. M.; Venkatraman, J.; Suresh, S.; Vijayan, M.
X-ray Studies on Crystalline Complexes Involving Amino Acids and Peptides. XXXIII. Crystal Structures of <small>L</small>- and <small>DL</small>-Arginine Complexed with Oxalic Acid and a Comparative Study of Amino Acid‒Oxalic Acid Complexes
Acta Crystallographica Section B, 1998, 54, 257-263
2105768 CIF
Paper
C31 H38 Ag7 F15 O14 S4P 113.435; 13.8806; 16.3609
110.194; 106.492; 104.003
2542.2Hau, Sam C. K.; Tam, Dennis Y. S.; Mak, Thomas C. W.
Organosilver(I) framework assembly with trifluoroacetate and enediyne-functionalized alicycles
Acta Crystallographica Section B, 2014, 70, 37-46
2105941 CIF
HKL
Paper
C4 H10 OP 15.10141; 5.53079; 9.0323
79.0266; 75.7579; 78.8261
239.586Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent
Structure determination of the crystalline phase of <i>n</i>-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy
Acta Crystallographica Section B, 2013, 69, 195-202
2105953 CIFAl67.4 Ni14.7 Rh17.8P 1150; 150; 4.181
90; 90; 90
94072.5Logvinovich, Dmitry; Simonov, Arkadiy; Steurer, Walter
Structure of decagonal Al‒Ni‒Rh
Acta Crystallographica Section B, 2014, 70, 732-742
2106066 CIFAl Cl7 SeP 19.87; 8.27; 9.83
139.9; 94.8; 93.8
504.294Stork-Blaisse, B.A.; Romers, C.
The Crystal Structure of Al Se Cl7
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 386-392
2106184 CIFCa H O4 PP 16.91; 6.627; 6.998
96.34; 103.82; 88.33
309.275Catti, M.; Ferraris, G.; Filhol, A.
Hydrogen bonding in the crystalline state. Ca H P O4 (monetite) , P1- or P1? A novel neutron diffraction study
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 1223-1229
2106757 CIFCa10 H O17 P4P 122; 9.63; 6.87
90.13; 92.13; 108.36
1380.28Fernandez, M.E.; Ascencio, J.A.; Zorrilla-Cangas, C.; Garcia-Garcia, R.; Reyes-Gasga, J.
New model for the hydroxyapatite - octacalcium phosphate interface
Acta Crystallographica B (39,1983-), 2003, 59, 175-181
2106778 CIF
HKL
As2 Bi30 O77 S9P 15.67; 13.9408; 22.7908
80.903; 82.854; 78.27
1733.7Pinto, Daniela; Garavelli, Anna; Bindi, Luca
Fluorite-related one-dimensional units in natural bismuth oxysulfates: the crystal structures of Bi~14~O~16~(SO~4~)~5~ and Bi~30~O~33~(SO~4~)~9~(AsO~4~)~2~
Acta Crystallographica Section B, 2015, 71
2107482 CIF
Paper
C46 H55 Cl2 Fe N3 O5 P2P 19.3389; 10.3155; 24.3224
96.277; 92.393; 90.009
2327Bichler, Bernhard; Holzhacker, Christian; Glatz, Mathias; Stöger, Berthold; Kirchner, Karl
Twinning of three Fe-PNP pincer complexes interpreted according to order‒disorder (OD) theory
Acta Crystallographica Section B, 2015, 71, 524-534
2107483 CIF
HKL
Paper
C46.111 H40.444 F12 N8 O1.333 P2 RuP 118.3127; 21.3286; 29.264
81.874; 89.211; 69.108
10563.1Wachter, Erin; Glazer, Edith C.; Parkin, Sean; Brock, Carolyn Pratt
An exceptional 5:4 enantiomeric structure
Acta Crystallographica Section B, 2016, 72, 223-231
2107500 CIF
HKL
C32 H27 Ag2 B2 F8 N10 O6 P3P 18.1432; 9.879; 13.567
99.386; 99.515; 103.137
1025.1Davarcı, Derya; Gür, Rüştü; Beşli, Serap; Şenkuytu, Elif; Zorlu, Yunus
Silver(I) coordination polymers assembled from flexible cyclotriphosphazene ligand: structures, topologies and investigation of the counteranion effects
Acta Crystallographica Section B, 2016, 72, 344-356
2108199 CIF
HKL
C15 H18 N2 O2 SP 17.4536; 7.4603; 13.6011
79.6877; 89.2981; 69.3688
695.31Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald
Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines
Acta Crystallographica Section B, 2017, 73, 1179-1193
2108696 CIFCa0.12 Fe La0.88 O3P 17.860187; 7.839117; 7.860187
90; 89.7476; 90
484.316Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph
Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles
Acta Crystallographica Section B, 2020, 76
2108698 CIFCa0.12 Fe Nd0.88 O3P 17.793071; 7.757502; 7.793071
90; 88.7865; 90
471.023Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph
Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles
Acta Crystallographica Section B, 2020, 76
2108987 CIF
HKL
C34 H34 Cu N2 O9P 17.245; 7.251; 16.014
91.685; 97.664; 112.798
765.6Rey, Juan Manuel; Movilla, Federico; Suárez, Sebastián Angel; Di Salvo, Florencia
Synthesis, structural and electrochemical properties of a new family of amino-acid-based coordination complexes
Acta Crystallographica Section B, 2022, 78
2109009 CIF
HKL
Paper
C31 H50 O3P 17.1158; 13.118; 14.9298
91.25; 91.505; 99.452
1373.75Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa
Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives
Acta Crystallographica Section B, 2022, 78
2109010 CIF
HKL
C32 H52 O3P 17.1484; 13.3087; 15.0523
92.456; 94.221; 98.518
1410.28Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa
Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives
Acta Crystallographica Section B, 2022, 78
2109011 CIF
HKL
C32 H50.57 O4P 17.1965; 13.3283; 15.0866
92.599; 94.416; 98.623
1424.08Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa
Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives
Acta Crystallographica Section B, 2022, 78
2109012 CIF
HKL
C33 H54 O3P 17.1971; 13.5381; 15.4611
94.146; 96.768; 96.674
1480.16Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa
Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives
Acta Crystallographica Section B, 2022, 78
2200233 CIF
HKL
Paper
C5 H5 Li N2 O5P 14.9745; 5.3035; 6.7548
89.733; 102.717; 99.6012
171.305Lutz, Martin
Lithium orotate monohydrate
Acta Crystallographica Section E, 2001, 57, m103-m105
2200490 CIF
HKL
Paper
C6 H14 N3 O7.5 SP 18.34; 8.9291; 10.724
102.576; 107.704; 119.667
592Srinivasan, N.; Sridhar, B.; Rajaram, R. K.
Bis(<small>L</small>-histidinium sulfate) trihydrate
Acta Crystallographica Section E, 2001, 57, o607-o609
2200610 CIF
HKL
Paper
C30 H55 O5 PP 110.0853; 10.0892; 30.1129
88.403; 88.589; 90.021
3061.95Davies, John E.; Kirby, Anthony J.; Roussev, Christo D.
Pentacyclohexyloxyphosphorane
Acta Crystallographica Section E, 2001, 57, o994-o995
2200648 CIF
HKL
Paper
C28 H40 O12P 18.957; 9.667; 9.827
110.1; 92.42; 110.39
736.21Chattopadhyay, Sunil K.; Sharon, Ashoke; Yadav, Umesh; Srivastava, Sachin; Mehta, Vijay K.; Maulik, Prakas R.
A taxane diterpenoid from the needles of <i>Taxus wallichiana</i>
Acta Crystallographica Section E, 2001, 57, o1158-o1160
2200847 CIF
HKL
Paper
C29 H35 Cl O9 S2P 18.5321; 12.0941; 16.6243
70.7225; 85.0894; 71.5179
1535.38Linker, Manuela; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang
3-(7,7-Dimethyl-2-oxobicyclo[2.2.1.]hept-1-ylmethanesulfonyloxy)-2-methyl-2-(toluene-4-sulfonyloxymethyl)propyl 4-chlorobenzoate
Acta Crystallographica Section E, 2002, 58, o72-o73
2200959 CIF
HKL
Paper
C27.5 H48 O1.5P 112.2735; 34.237; 6.2739
90.224; 93.705; 91.576
2629.8Shieh, Huey-Sheng; Nordman, Christer E.
Cholesterol hemimethanol solvate
Acta Crystallographica Section E, 2002, 58, o79-o80
2201007 CIF
HKL
Paper
C10 H21 N2 O12.5 SP 112.536; 12.596; 13.306
79.09; 62.05; 65.88
1693.9B. Sridhar; N. Srinivasan; R. K. Rajaram
Bis(<small>L</small>-glutamic acid) sulfate hemihydrate
Acta Crystallographica Section E, 2002, 58, o272-o276
2201139 CIF
HKL
Paper
C38 H40 Br N O6P 17.818; 11.285; 18.683
90.906; 91.966; 90.094
1647.15Lautens, Mark; Lough, Alan J.; Fagnou, Keith
(1<i>R</i>,2<i>R</i>,5<i>R</i>,6<i>S</i>)-5,6-Bis(4-methoxybenzyloxymethyl)-2-(methylphenylamino)cyclohex-3-enyl 4-bromobenzoate
Acta Crystallographica Section E, 2002, 58, o542-o543
2201144 CIF
HKL
Paper
C22 H27 F2 N O5P 18.234; 8.7827; 14.9145
89.299; 78.697; 89.906
1057.6Kooijman, Huub; Spek, Anthony L.; Sobolev, Arkadij; Jongejan, Hugo; Franssen, Maurice C. R.
3-Methyl 5-[(<i>S</i>)-2-methylbutyl] 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Acta Crystallographica Section E, 2002, 58, o532-o534
2201309 CIF
HKL
Paper
C17 H18 Fe OP 17.938; 9.5038; 9.906
100.765; 102.87; 107.855
666.7Van der Maelen Uría, Juan Francisco; García-Granda, Santiago; López, Salomé
(+)-(<i>R,E</i>)-2-Ethylidene-4-ferrocenylcyclopentanone
Acta Crystallographica Section E, 2002, 58, m613-m615
2201369 CIF
HKL
Paper
C25 H29 N O2P 16.991; 11.674; 13.528
79.327; 76.866; 78.438
1042Vasuki, G.; Thamotharan, S.; Parthasarathi, V.; Ramamurthi, K.; Dubey, S.; Jindal, D. P.
16-(2-Pyridylmethylene)androst-4-ene-3,17-dione
Acta Crystallographica Section E, 2002, 58, o753-o755
2201371 CIF
HKL
Paper
C6 H15 Cl N4 O2P 15.1263; 9.461; 10.322
88.138; 76.447; 89.745
486.42B. Sridhar; N. Srinivasan; Bjoern Dalhus; R. K. Rajaram
A triclinic polymorph of <small>L</small>-argininium chloride
Acta Crystallographica Section E, 2002, 58, o747-o749
2201595 CIF
HKL
Paper
C39 H48 Cd N8 O9P 19.8088; 10.608; 12.0502
93.5; 110.936; 114.273
1035.21Almeida Paz, Filipe A.; Bond, Andrew D.; Khimyak, Yaroslav Z.; Klinowski, Jacek
<i>catena</i>-Poly[[[diaquacadmium(II)]-di-μ-4,4'-trimethylenedipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate 4,4'-trimethylenedipyridine monohydrate]
Acta Crystallographica Section E, 2002, 58, m730-m732
2201641 CIF
HKL
Paper
C10 H16 Cl4 Cu N2P 17.6919; 8.1526; 12.2337
87.249; 88.694; 89.414
766.05Choi, Sung-Nak; Lee, Yong-Min; Lee, Hong-Woo; Kang, Sung Kwon; Kim, Young-Inn
Nicotinium tetrachlorocuprate(II)
Acta Crystallographica Section E, 2002, 58, m583-m585
2201648 CIF
HKL
Paper
C17 H29 N O6P 19.641; 9.997; 11.042
84.77; 69.72; 69.59
935.06Badorrey, Ramon; Cativiela, Carlos; Díaz-de-Villegas, Maria D.; Gálvez, Jose A.
<i>tert</i>-Butyl (7<i>R</i>)-7-[(4<i>S</i>)-2,2-dimethyl-[1,3]dioxolan-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
Acta Crystallographica Section E, 2002, 58, o750-o752
2201775 CIF
HKL
Paper
C38 H44 O8P 16.74; 11.295; 11.647
67.18; 81.59; 85.49
808.2Jones, Peter G.; Hillmer, Jörg; Hopf, Henning
(<i>S</i>)-4,16-Dihydroxymethyl-[2.2]paracyclophane bis-(1<i>S</i>)-camphanoate
Acta Crystallographica Section E, 2003, 59, o24-o25
2201781 CIF
HKL
Paper
C21 H25 N O6P 15.2; 10.132; 10.768
65.66; 83.87; 79.63
508.1Clegg, William; Jackson, Richard F. W.; Wishart, Neil
Benzyl (2<i>S</i>)-2-<i>tert</i>-butoxycarbonylamino-5-(2-furyl)-5-oxopentanoate
Acta Crystallographica Section E, 2003, 59, o86-o88
2201931 CIF
HKL
Paper
C30 H47 N O8P 113.984; 14.0507; 15.4152
86.201; 84.847; 89.898
3009.96Almeida Paz, Filipe A.; Soares-Santos, Paula C. R.; Nogueira, Helena I. S.; Trindade, Tito; Klinowski, Jacek
Tetrabutylammonium 2,6-dihydroxybenzoate 2,6-dihydroxybenzoic acid solvate
Acta Crystallographica Section E, 2003, 59, o506-o508
2201997 CIF
HKL
Paper
C30 H18 N4 O6P 17.4573; 7.9472; 11.748
96.859; 104.061; 108.599
625.3Wang, Ruihu; Xu, Lijin; Chen, Gang; Zhou, Zhongyuan; Hong, Maochun; Cao, Rong; Chan, Albert S. C.
(<i>S</i>)-2,2'-Bis(4-nitro-2-pyridyloxy)-1,1'-binaphthalene
Acta Crystallographica Section E, 2003, 59, o865-o867
2202221 CIF
HKL
Paper
C8 H15 N O6P 15.674; 9.803; 9.906
87.37; 99.64; 100.35
534.3K. Rajagopal; R. V. Krishnakumar; M. Subha Nandhini; R. Malathi; S. S. Rajan; S. Natarajan
<small>L</small>-Leucinium oxalate
Acta Crystallographica Section E, 2003, 59, o878-o880
2202367 CIF
HKL
Paper
C17 H23 Cl2 N3 O2 ZnP 17.4392; 8.4408; 8.7411
113.027; 97.04; 101.818
481.76Panosyan, Francis B.; Lough, Alan J.; Chin, Jik
{2,6-Bis[(4<i>R</i>)-(+)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-κ^3^<i>N</i>}dichlorozinc(II)
Acta Crystallographica Section E, 2003, 59, m864-m866
2202634 CIF
HKL
Paper
C25 H36 O5P 111.4692; 11.8174; 17.6837
96.925; 104.907; 95.201
2280.7Bernès, Sylvain; Torrens, Hugo; López-Giral, Angela; Buttenklepper, Alfredo
Pregnenolone hemisuccinate: a <i>P</i>1 structure with <i>Z</i>' = 4
Acta Crystallographica Section E, 2003, 59, o1372-o1375
2202648 CIF
HKL
Paper
C21 H31 O5.5P 17.781; 10.598; 12.432
95.131; 107.49; 97.32
960.9Gadepalli, Rama Sarma V. S.; Rimoldi, John M.; Fronczek, Frank R.
1-β-Hydroxycorticosterone hemihydrate
Acta Crystallographica Section E, 2003, 59, o1525-o1527
2202871 CIF
HKL
Paper
C16 H15 N O SP 16.2144; 6.8078; 8.4492
102.896; 94.7214; 110.262
321.861Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.
(<i>Z</i>)-2-(Benzo[<i>b</i>]thiophen-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one
Acta Crystallographica Section E, 2003, 59, o1726-o1728
2202930 CIF
HKL
Paper
C13 H14 N2 O6P 18.194; 8.308; 5.463
106.12; 101.98; 95.69
344.6Tokiko Imai; Yokoyama Yoshihiro; Akiko Sekine; Hidediro Uekusa; Yuji Ohashi
The 2-methoxyphenylhydrazone derivative of dehydroascorbic acid
Acta Crystallographica Section E, 2003, 59, o1241-o1243
2202945 CIF
HKL
Paper
C13 H15 N O6P 15.7016; 11.4864; 11.5542
67.953; 81.158; 79.379
686.37M.Alagar; R.V. Krishnakumar; K.Rajagopal; M. Subha Nandhini; S.Natarajan
<small>L</small>-Phenylalanine fumaric acid
Acta Crystallographica Section E, 2003, 59, o952-o954
2203008 CIF
HKL
Paper
C15 H15 N3 O7P 17.5177; 9.6277; 11.1566
89.008; 79.373; 87.054
792.57Smith, Graham; Wermuth, Urs D.; White, Jonathan M.
(<i>S</i>)-(–)-1-Phenylethylaminium 3,5-dinitrosalicylate
Acta Crystallographica Section E, 2003, 59, o1977-o1979
2203226 CIF
Paper
C79 H83 N O10P 134.738; 9.5934; 10.0715
90.278; 93.993; 90.021
3348.2Ohba, Shigeru; Miyamoto, Hisakazu
(<i>R,R</i>)-(–)-<i>trans</i>-1,4-Dioxaspiro[4,4]nonane-2,3-diylbis(diphenylmethanol)–<i>N</i>-allyl-<i>N</i>-propyl-3-oxocyclohexene-1-carboxamide (2/1)
Acta Crystallographica Section E, 2004, 60, o216-o218
2203322 CIF
HKL
Paper
C26 H28 Cl2 N4 O4P 110.374; 10.8633; 13.2251
67.725; 79.262; 65.743
1256.6Oswald M. Peeters; Norbert M. Blaton; John G. Gerber; Joseph Gal
(+)-<i>cis</i>-1-Acetyl-4-(4-{[(2<i>R</i>,4<i>S</i>)-2-(2,4-dichlorophenyl)-2-(1<i>H</i>-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine [(2<i>R</i>,4<i>S</i>)-(+)-ketoconazole]
Acta Crystallographica Section E, 2004, 60, o367-o369
2203342 CIF
Paper
C20 H25 N O5P 17.509; 7.777; 8.43
83.776; 68.993; 71.511
435.84Deschamps, Jeffrey R.; Coop, Andrew; Parrish, Damon A.; Rice, Kenner C.
7β,14β-Epoxyhydrocodone-6,6-dimethoxy ketal: an unusual oxetane-containing opioid
Acta Crystallographica Section E, 2004, 60, o331-o333
2203433 CIF
HKL
Paper
C12 H12 Cl3 Co N6 OP 16.876; 7.8033; 16.657
95.45; 95.962; 103.989
855.8Zhang, Ze-Feng; Li, Li-Xin; Wang, Xiao-Qing; Xie, Cheng-Zhi; Wang, Ru-Ji; Shen, Guang-Qiu
(1<i>H</i>-Benzotriazole-κ<i>N</i>^3^)trichlorocobalt(III)‒1<i>H</i>-benzotriazole‒water (1/1/1)
Acta Crystallographica Section E, 2004, 60, m498-m500
2203471 CIF
HKL
Paper
C7 H14 N4 O5 SP 14.875; 5.306; 10.669
101.486; 92.884; 90.339
270.07Zhang, Li-Xue; Zhang, An-Jiang; Lei, Xin-Xiang; Zou, Kai-Huang; Ng, Seik Weng
4-Amino-3-(1,2,3,4,5-pentahydroxypentyl)-1,2,4-1<i>H</i>-triazole-5(4<i>H</i>)-thione
Acta Crystallographica Section E, 2004, 60, o613-o615
2203633 CIF
HKL
Paper
C24 H34 O6 SP 16.8037; 7.7391; 11.9131
84.539; 74.277; 78.323
590.77Bruno, Giuseppe; Rotondo, Archimede; Nicoló, Francesco; Aversa, Maria Chiara; Barattucci, Anna; Bonaccorsi, Paola; Giannetto, Placido
(8a<i>R</i>,S<i>S</i>)-Dimethyl 3,5,6,7,8,8a-hexahydro-4-{[(1<i>S</i>)-<i>exo</i>-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl]methylsulfinyl}-1,2-naphthalenedicarboxylate
Acta Crystallographica Section E, 2004, 60, o733-o735
2203937 CIF
HKL
Paper
C35 H52 O7P 17.6789; 10.2222; 11.3519
102.368; 103.812; 101.113
816.81Meza-Reyes, Socorro; Montiel-Smith, Sara; Sandoval-Ramírez, Jesús; Bernès, Sylvain; Hernández-Linares, Guadalupe; Santillan, Rosa L.; Rincón, Susana
(<i>E</i>)-(20<i>S</i>,25<i>S</i>)-20,23-Diacetyl-5β-furost-22-ene-3β,26-diyl diacetate
Acta Crystallographica Section E, 2004, 60, o1137-o1139
2204055 CIF
HKL
Paper
C44 H50 B2 Cu F8 N10 O4P 19.2286; 11.4896; 12.0277
80.517; 82.803; 73.69
1203.07Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
A chiral facially coordinated Cu^II^ complex derived from a tridentate bis(benzimidazole) ligand: bis[(<i>S,S</i>)-1,2-dimethoxy-1,2-bis(1-methylbenzimidazol-2-yl)ethane]copper(II) bis(tetrafluoroborate) acetonitrile disolvate
Acta Crystallographica Section E, 2004, 60, m1147-m1150
2204154 CIF
Paper
C10 H15 N3 O8P 15.3712; 7.637; 8.46
72.025; 73.872; 81.144
316.2Johnson, M. N.; Feeder, N.
(<i>R</i>)-Histidinium (2<i>R</i>,3<i>R</i>)-tartrate
Acta Crystallographica Section E, 2004, 60, o1476-o1477
2204534 CIF
HKL
Paper
C20 H26 Co N2 O10P 17.3854; 11.432; 13.625
92.88; 98.04; 97.18
1127.4Li, Feng; Wang, Yanqi; Bi, Wenhua; Li, Xing; Cao, Rong
A new supramolecular framework through hydrogen bonds in <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 2-carboxylatocinnamate dihydrate]
Acta Crystallographica Section E, 2004, 60, m1681-m1683
2205003 CIF
Paper
C16 H12 N2 OP 18.16; 8.451; 11.629
97.921; 108.234; 110.548
685Büyükgüngör, Orhan; Kos̨ar, Bas̨ak; Akdemir, Nesuhi; Ağar, Erbil; Gümrükçüoğlu, Ismail
4-(2,6-Dimethylphenoxy)phthalonitrile
Acta Crystallographica Section E, 2005, 61, o335-o336
2205593 CIF
HKL
Paper
C21 H32 O4P 17.6386; 8.259; 15.761
84.415; 89.48; 74.529
953.6Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.
17-Oxo-5β-hydroxyandrostan-3β-yl acetate
Acta Crystallographica Section E, 2005, 61, o1144-o1146
2205708 CIF
HKL
Paper
C10 H14 N2 O5P 15.838; 9.883; 10.576
107.225; 100.203; 98.894
559.5Görbitz, Carl Henrik; Nelson, William H.; Sagstuen, Einar
α-Thymidine at 105 K
Acta Crystallographica Section E, 2005, 61, o1207-o1209
2205871 CIF
HKL
Paper
C18 H29 N5 O11P 17.147; 11.854; 15.456
106.45; 95.17; 91.02
1249.4K. Anitha; S. Athimoolam; R. K. Rajaram
<small>L</small>-Leucine <small>L</small>-leucinium picrate
Acta Crystallographica Section E, 2005, 61, o1604-o1606
2206130 CIF
HKL
Paper
C4 H9 N3 O6P 15.357; 8.232; 10.172
96.88; 104.47; 102.11
417.6A. Aarthy; K. Anitha; S. Athimoolam; S. Asath Bahadur; R.K. Rajaram
<small>L</small>-Asparaginium nitrate
Acta Crystallographica Section E, 2005, 61, o2042-o2044
2206671 CIF
HKL
Paper
C20 H22 N2 OP 16.0091; 6.4829; 12.203
81.136; 80.67; 69.04
435.67Romero, Nancy; Terán, Joel L.; Gnecco, Dino; Bernès, Sylvain
(–)-1-Benzyl-4-[1(<i>S</i>)-phenylethylamino]-5,6-dihydropyridin-2(1<i>H</i>)-one
Acta Crystallographica Section E, 2005, 61, o2924-o2926
2207148 CIF
HKL
Paper
C24 H21 F2 N O3P 16.1397; 7.6596; 11.1439
72.484; 89.979; 85.553
498.12G. Y. S. K. Swamy; K. Ravikumar; L. K. Wadhwa; Rahul Saxena; Saranjit Singh
(2<i>R</i>*,3<i>R</i>*,6<i>S</i>*)-<i>N</i>,6-Bis(4-fluorophenyl)-2-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3-carboxamide
Acta Crystallographica Section E, 2005, 61, o3608-o3610
2207905 CIF
HKL
Paper
C8 H10 F3 N3 O4P 15.1724; 8.8183; 12.481
96.193; 99.853; 102.106
542.27Srinivasan Gokul Raj; Gubendiran Ramesh Kumar; Rajagopal Mohan; Ramasamy Jayavel
<small>L</small>-Histidinium trifluoroacetate
Acta Crystallographica Section E, 2006, 62, o5-o7
2207915 CIF
HKL
Paper
C23 H34 O3P 16.3179; 8.0901; 10.88
73.8; 100.311; 109.285
501.7Sabina Quader; Sue E. Boyd; Todd A Houston; Ian D. Jenkins; Peter C. Healy
Ethyl 3β-hydroxypregna-5,17(20)-dien-21-oate
Acta Crystallographica Section E, 2006, 62, o162-o164
2209002 CIF
HKL
Paper
C42 H56 N4 O12P 19.1755; 15.4193; 15.5475
77.2624; 82.027; 78.256
2090.45Bream, Richard; Watkin, David; Soengas, Raquel; Fleet, George W.J.; Edwards, Alison A.; Hunter, Stuart J.; George E. Tranter
<i>cyclo</i>{[(6-Amino-6-deoxy-2,3:4,5-di-<i>O</i>-isopropylidene-<small>D</small>-galactonic acid)-(<small>D</small>-Phe)]~2~}
Acta Crystallographica Section E, 2006, 62, o1851-o1853
2209151 CIF
HKL
Paper
C10 H10 O3P 18.375; 10.826; 15.321
70.8; 75.25; 79.05
1260Efdi, Mai; Koketsu, Mamoru; Ebihara, Masahiro; Ishihara, Hideharu
(<i>R</i>)-(–)-8-Hydroxy-3-methyl-3,4-dihydro-1<i>H</i>-2-benzopyran-1-one
Acta Crystallographica Section E, 2006, 62, o2135-o2137
2209584 CIF
HKL
Paper
C19 H24 Cl2 N2 O9P 16.544; 7.819; 11.308
88.67; 77.03; 83.85
560.6Zhi-Min Jin; Hui-Min Zhang; Bing Tu; Zhi-Yong Wu; Mao-Lin Hu
Cinchonidinium bis(perchlorate)
Acta Crystallographica Section E, 2006, 62, o2614-o2616
2210006 CIF
HKL
Paper
C33 H40 N2 O8 S2P 16.565; 9.599; 12.748
85.25; 84.08; 82.71
790.6Hui-Min Zhang; Bing Tu; Zhi-Min Jin; Zhi-Yong Wu; Mao-Lin Hu
Cinchonidinium bis(4-methylbenzenesulfonate) monohydrate
Acta Crystallographica Section E, 2006, 62, o3398-o3400
2210395 CIF
HKL
Paper
C19 H20 Cl0.59 I0.41 N O3P 16.2645; 8.2382; 9.1458
68.743; 88.273; 87.467
439.4Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun
2-[(<i>E</i>)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 0.59-chloride 0.41-iodide monohydrate
Acta Crystallographica Section E, 2006, 62, o4004-o4006
2210659 CIF
HKL
Paper
C28 H50 N2 OP 16.245; 7.106; 15.858
77.993; 87.575; 67.574
635.7Hai-Feng Liu; Li-Na Huang; Min Ji
3α,20-Bis(dimethylamino)-4,4,14-trimethyl-9,19-cyclo-5α-pregnan-16-ol
Acta Crystallographica Section E, 2006, 62, o4517-o4518
2210795 CIF
HKL
Paper
C25 H30 Cl N O2P 19.8466; 10.2147; 10.8492
84.224; 80.232; 82.956
1063.7John, Nicole; Butcher, Raymond J.; Bakare, Oladapo
15-(4-Chlorobenzylamino)-2-methoxypodocarpa-8,11,13-trien-15-one
Acta Crystallographica Section E, 2006, 62, o4361-o4363
2210992 CIF
HKL
Paper
C41 H66 O13P 16.328; 10.558; 17.553
74.57; 81.76; 79.03
1104.5Qi-Fa Li; Xiao-Ling Wang; Kai-Bei Yu; Shu-Lin Peng; Li-Sheng Ding
11α,12β-Acetonyltenacissoside F acetone solvate: a new polyoxypregnane glycoside from the stems of <i>Marsdenia tenacissima</i>
Acta Crystallographica Section E, 2006, 62, o5255-o5256
2211216 CIF
HKL
Paper
C17 H38 N4 O3P 17.8231; 9.0594; 9.204
119.287; 105.764; 98.734
515.07Robert C. Luckay
(<i>S</i>)-1,4,7-Tris(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane
Acta Crystallographica Section E, 2006, 62, o5158-o5160
2211500 CIF
HKL
Paper
C30 H44 O4P 16.6054; 7.2228; 14.5495
90.085; 96.287; 114.225
628.39Thompson, Hugh W.; Lalancette, Roger A.; Kikolski, Elizabeth M.
(+)-14bα-3-Oxoglycyrrhetinic acid: catemeric hydrogen bonding in a non-racemic triterpenoid diketo acid
Acta Crystallographica Section E, 2006, 62, o5482-o5484
2211763 CIF
HKL
Paper
C13 H19 Cu N3 O8 SP 17.7463; 10.3041; 11.7022
74.585; 78.996; 74.596
860.81Li, Hai-Ye; Huang, Fu-Ping; Jiang, Yi-Min; Ng, Seik Weng
Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(<small>L</small>-cysteato-κ^2^<i>N</i>,<i>O</i>)copper(II) dihydrate
Acta Crystallographica Section E, 2007, 63, m219-m220
2212497 CIF
HKL
Paper
C24 H17 N O3 SP 110.508; 11.713; 12.25
92.424; 92.08; 100
1482Moskalev, Nikolai V.; Gribble, Gordon W.; Jasinski, Jerry P.
4,6-Diphenyl-1-(phenylsulfonyl)-1<i>H</i>-furo[3,4-<i>b</i>]pyrrole
Acta Crystallographica Section E, 2007, 63, o1279-o1281
2212820 CIF
HKL
Paper
C30 H51.5 OP 16.3422; 7.3709; 29.5443
90.843; 91.334; 115.372
1247.11Hoong-Kun Fun; Nawong Boonnak; Suchada Chantrapromma
A cocrystal of friedelan-3β-ol and friedelin (0.75/0.25)
Acta Crystallographica Section E, 2007, 63, o2014-o2016
2213031 CIF
HKL
Paper
C51.6 H57.4 N4 O21P 111.344; 13.152; 20.863
77.99; 81.52; 64.67
2746Färnbäck, Magnus; Söderman, Peter; Eriksson, Lars; Widmalm, Göran
Methyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-azido-α-<small>D</small>-galactopyranosyl-(1\ρightarrow 2)-[3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<small>D</small>-glucopyranosyl-(1\ρightarrow 3)]-4-<i>O</i>-benzoyl-α-<small>L</small>-rhamnopyranoside <i>n</i>-hexane 0.1-solvate
Acta Crystallographica Section E, 2007, 63, o1581-o1583
2213218 CIF
HKL
Paper
C19 H20 I N O3P 16.2412; 8.2854; 9.1961
68.134; 89.424; 87.72
440.971Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun; P. S. Patil
2-[(<i>E</i>)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium iodide monohydrate
Acta Crystallographica Section E, 2007, 63, o2321-o2323
2213757 CIF
HKL
Paper
C10 H22 N4 O8P 15.271; 8.0481; 9.7942
106.155; 97.265; 101.649
383.422Sun, Zhi-Hua; Yu, Wen-Tao; Fan, Jian-Dong; Xu, Dong; Wang, Xin-Qiang
<small>L</small>-Argininium(+) maleate({-}) dihydrate
Acta Crystallographica Section E, 2007, 63, o2805-o2807
2213783 CIF
HKL
Paper
C15 H19 F3 O12 SP 17.885; 8.542; 15.629
99.103; 90.958; 90.271
1039.2Zhu, Hong-Yuan; Jiang, Shen-De
1,3,4,6-Tetra-<i>O</i>-acetyl-2-(trifluoromethylsulfonyl)-β-<small>D</small>-mannopyranose
Acta Crystallographica Section E, 2007, 63, o2833-o2833
2213906 CIF
HKL
Paper
C46 H32 Br4 F12 N8 P2 RuP 18.3158; 9.2087; 16.2114
89.7346; 88.7088; 83.6367
1233.47Chartrand, Daniel; Theobald, Isabelle; Hanan, Garry S.
Bis[4'-(3,5-dibromophenyl)-2,2':6',2''-terpyridine]ruthenium(II) bis(hexafluorophosphate) acetonitrile disolvate
Acta Crystallographica Section E, 2007, 63, m1561-m1561
2213956 CIF
HKL
Paper
C14 H18 Br2 N2P 16.1326; 7.3174; 9.8781
93.817; 104.335; 114.408
383.86Bing-Tao Wang; Shu-Ping Luo; Hua-Dong Yue; Li-Ping Wang; Dan-Qian Xu
(<i>S</i>)-2-(Pyrrolidinium-2-ylmethyl)isoquinolinium dibromide
Acta Crystallographica Section E, 2007, 63, o2786-o2786
2214083 CIF
HKL
Paper
C21 H31 Cl O4P 17.1025; 9.984; 15.552
100.521; 99.211; 110.47
985.3Chun-Nian Xia; Bi-Wen Li; Wei-xiao Hu; Wei Zhou
3β-Acetoxy-5α-chloro-6β-hydroxyandrostan-17-one
Acta Crystallographica Section E, 2007, 63, o3107-o3107
2214204 CIF
HKL
Paper
C6 H12 B Br N2 O4P 15.5806; 6.0026; 9.7951
98.823; 97.302; 116.858
281.99Bekaert, Alain; Lemoine, Pascale; Brion, Jean Daniel; Viossat, Bernard
Bis[(<i>R</i>)-lactamido-κ^2^<i>O</i>,<i>O</i>']boron(III) bromide
Acta Crystallographica Section E, 2007, 63, o3187-o3189
2214303 CIF
HKL
Paper
C10 H13 N2 O2 PP 16.0322; 6.8532; 7.382
105.604; 95.8; 106.802
276.03Saied Ghadimi; Ali Asghar Ebrahimi Valmoozi; Mehrdad Pourayoubi
<i>N</i>,<i>N</i>-Dimethyl <i>O</i>-<i>p</i>-tolyl phosphoramidocyanidate
Acta Crystallographica Section E, 2007, 63, o3260-o3260
2215027 CIF
HKL
Paper
C22 H52 O35 Zn3P 17.2044; 11.2959; 13.6932
70.872; 76.436; 74.589
1001.59Wen, Yi-Hang; Ng, Seik Weng
<i>catena</i>-Poly[hexaaquazinc(II) bis[[triaquazincate(II)]-μ-(5-carboxylato-<i>m</i>-phenylenedioxy)diacetato-κ^2^<i>O</i>^1^:<i>O</i>^5^] heptahydrate]
Acta Crystallographica Section E, 2007, 63, m2378-m2379
2215041 CIF
HKL
Paper
C17 H23 N5 O8P 16.595; 9.688; 16.301
72.72; 89.68; 83.82
988.3Meier, Lidiane; Sá, Marcus M.; Bortoluzzi, Adailton J.
2-<i>N</i>,5'-Di-<i>O</i>-acetyl-2',3'-<i>O</i>-isopropylideneguanosine monohydrate
Acta Crystallographica Section E, 2007, 63, o3751-o3752
2215524 CIF
HKL
Paper
C13 H10 Br N5 O8P 14.6684; 7.0328; 12.842
93.802; 97.688; 98.28
411.9Sarojini, B. K.; Narayana, B.; Swamy, M. T.; Yathirajan, H. S.; Bolte, Michael
5-Bromo-3-(methylaminocarbonyl)pyridinium picrate
Acta Crystallographica Section E, 2007, 63, o4181-o4181
2215635 CIF
HKL
Paper
C16 H15 N3 O6P 14.7125; 8.032; 9.997
80.49; 81.977; 77.324
361.99Wen Qin; Ye Zhang; Heng-Shan Wang; Yong Zhang
2-(2-Hydroxyethyl)-6-[(2-hydroxyethyl)amino]-5-nitro-1<i>H</i>-benzo[<i>de</i>]isoquinoline-1,3(2<i>H</i>)-dione
Acta Crystallographica Section E, 2007, 63, o3995-o3995
2215765 CIF
HKL
Paper
C14 H25 Cl N O RhP 16.5499; 6.6563; 18.854
92.253; 95.026; 114.841
740.44Dahlenburg, Lutz; Treffert, Harald; Heinemann, Frank W.
Chlorido(η^4^-cycloocta-1,5-diene)[(<i>S</i>)-2-(methoxymethyl)pyrrolidine-κ<i>N</i>]rhodium(I)
Acta Crystallographica Section E, 2007, 63, m2855-m2855
2215942 CIF
HKL
Paper
C15 H14 Br N OP 18.0793; 8.57; 10.3148
88.39; 85.615; 70.393
670.81Ma, Rui; Ma, Rongming; Hou, Yubang; Yong, Xuejian; Bao, Feng
<i>N</i>-(4-Bromobenzylidene)-4-ethoxyaniline
Acta Crystallographica Section E, 2007, 63, o4310-o4310
2216636 CIF
HKL
Paper
C15 H29 N4 O9.5P 15.7521; 9.0344; 20.7349
95.138; 96.3386; 108.464
1006.91Le Pevelen, Delphine D.; Edwards, Alison A.; Tranter, George E.; Watkin, David J.; Fleet, George W.J.
Isopropyl 6-amino-2,5-anhydro-6-<i>N</i>-(2,5-anhydro-6-azido-3,6-dideoxy-<small>L</small>-<i>lyxo</i>-hexonyl)-3,6-dideoxy-<small>L</small>-<i>lyxo</i>-hexonate 2.5-hydrate
Acta Crystallographica Section E, 2007, 63, o4719-o4720
2216708 CIF
HKL
Paper
C59 H52 N9 O18 S YP 110.4185; 10.9689; 14.3844
70.599; 81.174; 63.298
1385.1Soleimannejad, Janet; Aghabozorg, Hossein; Nakhjavan, Bahar; Attar Gharamaleki, Jafar; Ramezanipour, Farshid
Tris(1,10-phenanthrolinium) tris(pyridine-2,6-dicarboxylato)yttriate(III) dimethyl sulfoxide solvate pentahydrate
Acta Crystallographica Section E, 2007, 63, m3170-m3171
2216834 CIF
HKL
Paper
C32 H30 N2 O8P 17.3646; 8.1772; 13.329
97.905; 100.352; 109.296
728.32Wu, Xiao-Yun; Hu, Ai-Xi; Cao, Gao
(<i>R</i>*)-({-})-3-[4-(Benzyloxy)benzoylmethyl] 5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Acta Crystallographica Section E, 2007, 63, o4578-o4578
2217085 CIF
HKL
Paper
C12 H13 Cl3 Co N6 OP 16.876; 7.8033; 16.657
95.45; 95.962; 103.989
855.8Sieroń, Lesław
1<i>H</i>-Benzotriazol-3-ium (1<i>H</i>-benzotriazole-κ<i>N</i>^3^)trichloridocobaltate(II) monohydrate: a reformulation
Acta Crystallographica Section E, 2008, 64, m58-m58
2217282 CIF
HKL
Paper
C12 H21 N O4P 16.1642; 11.2018; 11.6915
115.936; 100.621; 95.362
699.58Sieroń, Lesław; Kudaj, Adam; Olma, Aleksandra; Karolak-Wojciechowska, Janina
<i>tert</i>-Butyl <i>N</i>-[(<i>S</i>)-3-isobutyl-2-oxooxetan-3-yl]carbamate
Acta Crystallographica Section E, 2008, 64, o207-o207
2217301 CIF
HKL
Paper
C10 H12 N2 O7P 14.4941; 6.4512; 10.123
81.273; 87.06; 86.247
289.21Peng Liang
A cocrystal of pyridine-2,4-dicarboxylic acid and serine
Acta Crystallographica Section E, 2008, 64, o43-o43
2217312 CIF
HKL
Paper
C28 H36 N2 O16P 15.6931; 9.9132; 15.5048
81.344; 80.635; 73.986
824.71Gainsford, Graeme J.; Benjes, Paul A.
2,3,4-Triacetoxy-1-[5-(1,2,3,4-tetraacetoxybutyl)pyrazin-2-yl]butyl acetate
Acta Crystallographica Section E, 2008, 64, o50-o50
2217601 CIF
HKL
Paper
C40 H52 Cu2 N10 O14P 18.9675; 9.6545; 13.9421
91.533; 100.384; 105.393
1141.2Lou, Ben-Yong; Hong, Mao-Chun
μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(4,4'-bipyridine-κ<i>N</i>)(<small>L</small>-valinato-κ^2^<i>N</i>,<i>O</i>)copper(II)] dinitrate dihydrate
Acta Crystallographica Section E, 2008, 64, m405-m405
2217785 CIF
HKL
Paper
C20 H30 OP 110.5422; 12.1343; 14.8245
70.578; 70.096; 89.968
1668.01Zeroual, Abdellah; Mazoir, Noureddine; Daran, Jean-Claude; Akssira, Mohamed; Benharref, Ahmed
(4a<i>S</i>,10a<i>S</i>)-7-Hydroxy-8-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene: a new diterpenoid compound
Acta Crystallographica Section E, 2008, 64, o604-o605
2217949 CIF
HKL
Paper
C29 H48 OP 16.581; 7.26; 27.908
84.98; 86.48; 64.01
1193.6Hussain, Altaf; Siddiqui, Hamid Latif; Rashid, Rehana; Khan, Khalid Mehmood; Parvez, Masood
1-(5a,5b,8,8,11a,13b-Hexamethyleicosahydro-1<i>H</i>-cyclopenta[<i>a</i>]chrysen-3-yl)-1-ethanone
Acta Crystallographica Section E, 2008, 64, o723
2218376 CIF
Paper
C7 H5 Br Cl N O2P 13.978; 8.153; 14.04
96.89; 96.2; 100.7
440.2Ma, Yi; Liu, Ya-Lun
Methyl 5-bromo-2-chloropyridine-3-carboxylate
Acta Crystallographica Section E, 2008, 64, o1072
2218393 CIF
HKL
Paper
C12 H21 N OP 18.5417; 10.2807; 12.64
102.85; 90.091; 91.488
1081.78Guéret, Stéphanie M.; Choi, Ka Wai; O'Connor, Patrick D.; Boyd, Peter D. W.; Brimble, Margaret A.
(1<i>R</i>,6<i>R</i>)-1-Methyl-8-azaspiro[5.6]dodecan-7-one
Acta Crystallographica Section E, 2008, 64, o1151
2218639 CIF
HKL
Paper
C30 H34 O5P 15.6729; 13.435; 16.8404
87.55; 82.243; 85.332
1266.88Chan, Gomathi; Awang, Khalijah; A. Hadi, A. Hamid; Ng, Seik Weng
6-[(<i>E</i>)-3,7-Dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2<i>H</i>-chromen-2-one from <i>Mesua kunstleri</i> King (Kosterm)
Acta Crystallographica Section E, 2008, 64, o1332
2218828 CIF
HKL
Paper
C14 H15 N3 O5 S2P 16.0397; 7.7856; 17.468
81.366; 89.322; 87.057
811.006Fun, Hoong-Kun; Jebas, Samuel Robinson; Razak, Ibrahim Abdul; Deepak D'Silva, E.; Patil, P. S.; Dharmaprakash, S. M.
<i>S</i>-Benzylthiouronium 3-nitrobenzenesulfonate
Acta Crystallographica Section E, 2008, 64, o1195-o1196
2219078 CIF
HKL
Paper
C34 H54 Br2 N2 O6P 18.2302; 9.1319; 12.7193
105.037; 93.214; 100.499
902.37Wang, Zhao-Yang; Song, Xiu-Mei; Cai, Yue-Peng; Mao, Zheng-Zhou
3,3'-Dibromo-5,5'-bis[(<i>S</i>)-<small>L</small>-menthyloxy]-4,4'-(hexane-1,6-diyldiimino)difuran-2(5<i>H</i>)-one
Acta Crystallographica Section E, 2008, 64, o1642
2219083 CIF
HKL
Paper
C10 H18 Cl8 Hg4 N2 O4P 17.2742; 9.4472; 10.4767
108.621; 107.26; 97.353
631.51Kalaiselvi, D.; Kumar, R. Mohan; Jayavel, R.
Redetermination of poly[μ-chlorido-heptachlorido-μ~3~-<small>L</small>-proline-μ~2~-<small>L</small>-proline-tetramercury(II)]
Acta Crystallographica Section E, 2008, 64, m1048-m1049
2219357 CIF
HKL
Paper
C20 H17 N O8 S2P 17.926; 8.244; 8.709
98.323; 96.18; 103.915
540.5Ji, Xiujie; Cheng, Bowen; Song, Jun; Liu, Chao
2-Nitro-<i>p</i>-phenylene bis(toluenesulfonate)
Acta Crystallographica Section E, 2008, 64, o1816
2219580 CIF
HKL
Paper
C26 H25 N OP 19.3046; 13.126; 13.572
88.14; 89.99; 72.39
1579Li, Yong Hua; Zhao, Min Min; Zhang, Yuan
1-{Phenyl[1-(<i>p</i>-tolyl)ethylamino]methyl}-2-naphthol
Acta Crystallographica Section E, 2008, 64, o2005
2219626 CIF
HKL
Paper
C21 H20 N4 O3 SP 19.082; 9.849; 13.644
79.587; 83.253; 65.458
1090.7Li, Shao-Hua; Li, Gang; Huang, Hui-Ming; Tu, Guo-Gang; Liu, Cheng-Mei
(2<i>R</i>)-2-Cinnamoylamino-<i>N</i>-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
Acta Crystallographica Section E, 2008, 64, o1887
2219659 CIF
HKL
Paper
C13 H24 O6P 15.9366; 11.1694; 12.753
113.413; 100.37; 93.783
754.42Jenkinson, Sarah F.; Booth, K. Victoria; Best, Daniel; Fleet, George W. J.; Watkin, David J.
<i>tert</i>-Butyl 2-deoxy-4,5-<i>O</i>-isopropylidene-<small>D</small>-gluconate
Acta Crystallographica Section E, 2008, 64, o2011-o2012
2219764 CIF
HKL
Paper
C11 H14 N2 O4P 18.5276; 8.5517; 8.6259
92.919; 94.209; 94.146
624.71Lv, Lu-Ping; Ding, Xiao-Min; Zhang, Yong-Zhao; Li, Wei-Wei; Hu, Xian-Chao
(<i>E</i>)-Methyl <i>N</i>'-(3,4-dimethoxybenzylidene)hydrazinecarboxylate
Acta Crystallographica Section E, 2008, 64, o2189
2219923 CIF
HKL
Paper
C18 H24 N6 O7P 16.9325; 11.6867; 25.0826
96.728; 92.449; 89.971
2016.28Ng, Seik Weng
Non-merohedrally twinned hexamethylenetetramine–4-nitrophenol–water (1/2/1), triclinic modification
Acta Crystallographica Section E, 2008, 64, o2195
2219924 CIF
HKL
Paper
C26 H21 N3 O8P 17.858; 8.101; 9.601
85.673; 85.186; 68.834
567.3Martin, David P.; LaDuca, Robert L.
4,4'-Iminodipyridinium bis(hydrogen phthalate)
Acta Crystallographica Section E, 2008, 64, o2153
2221024 CIF
HKL
Paper
C14 H10 Br N3 O3P 14.8718; 6.842; 10.709
98.014; 93.258; 97.413
349.5Zhang, Ming-Jun; Yin, Li-Zi; Wang, Da-Cheng; Deng, Xu-Ming; Liu, Jing-Bo
(<i>E</i>)-4-Bromo-<i>N</i>'-(2-nitrobenzylidene)benzohydrazide
Acta Crystallographica Section E, 2009, 65, o508
2221531 CIF
HKL
Paper
C10 H11 Cl N2 O4P 16.6516; 6.9345; 7.0988
73.833; 80.182; 61.613
276.39Wong, Hon Wee; Lo, Kong Mun; Ng, Seik Weng
2-[(4-Chlorobenzoyl)hydrazono]propionic acid monohydrate
Acta Crystallographica Section E, 2009, 65, o816
2221577 CIF
HKL
Paper
C27 H34 Cl NP 15.9251; 10.783; 19.163
77.402; 85.281; 78.224
1168.8Chen, Yu-Xiang; Zhao, Zhen-Dong; Wang, Yu-Min; Bi, Liang-Wu
(<i>E</i>)-(4-Chlorobenzylidene){[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthryl]methyl}amine
Acta Crystallographica Section E, 2009, 65, o1118
2221677 CIF
HKL
Paper
C4 H8 N3 O4 PP 14.5625; 6.4739; 6.5933
92.934; 91.236; 98.627
192.21Messai, Amel; Benali-Cherif, Nourredine; Jeanneau, Erwann; Luneau, Dominique
Hydrogen bonding in cytosinium dihydrogen phosphite
Acta Crystallographica Section E, 2009, 65, o1147-o1148
2221931 CIF
HKL
Paper
C23 H33 N O8P 110.974; 11.0721; 11.1686
77.2135; 73.2087; 64.3465
1163.81Pinto, R. M. A.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.
16α,17α-Epoxy-5α-hydroxy-6β-nitrooxy-20-oxopregnan-3β-yl acetate
Acta Crystallographica Section E, 2009, 65, o1271-o1272
2222033 CIF
HKL
Paper
C13 H23 N O5 SP 15.1483; 11.66; 13.651
88.884; 82.681; 87.306
811.81Singh, Suneel P.; Verdu, Marcus J.; Lough, Alan J.; Schwan, Adrian L.
Triclinic modification of <i>N</i>-[(1,1-dimethylethoxy)carbonyl]-3-[(<i>R</i>)-prop-2-en-1-ylsulfinyl]-(<i>R</i>)-alanine ethyl ester at 120(1) K
Acta Crystallographica Section E, 2009, 65, o1387
2222168 CIF
HKL
Paper
C60 H92 O4P 18.4522; 11.7144; 14.1292
107.484; 90.249; 104.871
1284.6Tjokronegero, Roekmi-ati; Mayanti, Tri; Supratman, Unang; Mukhtar, Mat Ropi; Ng, Seik Weng
8,14-Secogammacera-7,14(27)-diene-3,21-dione–8,14-secogammacera-7,14-diene-3,21-dione (1.5/0.5) from the bark of <i>Lansium domesticum</i> Corr.
Acta Crystallographica Section E, 2009, 65, o1448
2222336 CIF
HKL
Paper
C21 H18 O7P 14.137; 8.1247; 14.4101
74.549; 85.166; 81.205
460.87Mechi, Lassaad; Chtiba, Samar; Hamdi, Naceur; Ben Hassen, Rached
4-Hydroxy-3-[(2<i>E</i>)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2<i>H</i>-chromen-2-one
Acta Crystallographica Section E, 2009, 65, o1652-o1653
2222654 CIF
HKL
Paper
C11 H14 N2 O3P 18.339; 8.349; 8.663
94.717; 95.21; 94.298
596.5Zhou, Bao-Cheng; Lv, Lu-Ping; Yu, Wen-Bo; Li, Wei-Wei; Hu, Xian-Chao
<i>N</i>'-(3,4-Dimethoxybenzylidene)acetohydrazide
Acta Crystallographica Section E, 2009, 65, o1964
2222689 CIF
HKL
Paper
C18 H27 N3 O7P 15.5173; 7.7442; 24.1013
94.507; 96.151; 91.227
1020.22Alhassan, Abdul-Basit; Norris, Peter; Zeller, Matthias
4-Butyl-1-(2,3,4-tri-<i>O</i>-acetyl-β-<small>L</small>-fucopyranosyl)-1<i>H</i>-1,2,3-triazole
Acta Crystallographica Section E, 2009, 65, o1992-o1993
2222922 CIF
HKL
Paper
C31 H32 Br N3 O3P 17.8696; 9.4558; 9.8018
90.544; 100.562; 104.618
692.6Cai, Zhi-Qiang; Xiong, Gang; Li, Shan-Rong; Liu, Jian-Bo; Sun, Tie-Min
<i>N</i>-[(6-Bromo-2-methoxy-3-quinolyl)phenylmethyl]-2-morpholino-<i>N</i>-(1-phenylethyl)acetamide
Acta Crystallographica Section E, 2009, 65, o1901
2223067 CIF
HKL
Paper
C10 H15 N OP 17.2679; 8.1702; 8.9426
105.15; 95.658; 104.602
488.25Yuan, Xian-You; Zhang, Min; Ng, Seik Weng
Perillartine
Acta Crystallographica Section E, 2009, 65, o2149
2223321 CIF
HKL
Paper
C48 H43 N7P 19.4889; 9.6252; 10.967
113.924; 94.555; 93.835
907.3Taheri, Amir; Moosavi, Sayed Mojtaba
<i>N</i>^4^,<i>N</i>^8^,3,6,9,10,11-Heptaphenyl-3,6,9,10,11-pentaazatricyclo[5.2.1.1^2,5^]undecane-4,8-diamine
Acta Crystallographica Section E, 2009, 65, o2337
2223476 CIF
HKL
Paper
C6 H11 N O5P 15.416; 5.8236; 6.6006
102.836; 104.776; 102.824
187.504Best, Daniel; Jenkinson, Sarah F.; Thompson, Amber L.; Watkin, David J.; Wilson, Francis X.; Nash, Robert J.; Fleet, George W. J.
(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid [(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-3,4-dihydroxy-5-(hydroxymethyl)proline]
Acta Crystallographica Section E, 2009, 65, o2418-o2419
2223924 CIF
HKL
Paper
C21 H25 N O11P 15.822; 9.121; 11.131
98.94; 94.53; 90.22
582Liu, Haoyan; Zou, Ailan; Zhang, Hao; Wang, Xiaoming; Yang, Yonghua
Glucosyl anthranilate
Acta Crystallographica Section E, 2009, 65, o2725
2224292 CIF
HKL
Paper
C26 H27 N O4P 16.0199; 9.2592; 11.0429
73.365; 74.694; 75.737
559.045Naicker, Tricia; McKay, Michael; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.
(1<i>R</i>,3<i>S</i>)-Methyl 2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Acta Crystallographica Section E, 2009, 65, o3278
2224539 CIF
HKL
Paper
C34 H51 N O2P 16.33; 10.419; 12.028
82.922; 89.137; 73.141
753.2Graia, Mohsen; Raza Murad, Ghalib; Krimi Ammar, Mehrzia; Mehdi, Sayed Hasan; Hashim, Rokiah
Cholest-5-en-3β-yl <i>N</i>-phenylcarbamate
Acta Crystallographica Section E, 2009, 65, o3231
2224612 CIF
HKL
Paper
C22 H34 O3P 16.5365; 12.5639; 13.1212
69.174; 87.518; 79.018
988.4Shi, Hao
Ethyl (1<i>R</i>,4<i>S</i>,5<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>)-5,9,13-trimethyl-14-methylene-14-oxotetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecane-5-carboxylate
Acta Crystallographica Section E, 2010, 66, o154
2224845 CIF
HKL
Paper
C15 H22 Cl N O4 SP 17.1958; 9.368; 13.4124
69.894; 76.79; 85.56
826.57Yu, Nian-Xi; Yang, Li-Min; Lu, Yang
(1<i>R</i>,3<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Hydroxy-3-tosyloxytropan-8-ium chloride
Acta Crystallographica Section E, 2010, 66, o317
2224933 CIF
HKL
Paper
C12 H44 Cl6 N4 O40 Tb2P 110.7703; 10.7766; 11.3521
79.345; 65.39; 67.658
1107.44Mohamed, Musa E.; Chopra, Deepak; Venugopal, K. N.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.
Tetrakis-μ-<small>L</small>-alanine-κ^8^<i>O</i>:<i>O</i>'-bis[tetraaquaterbium(III)] hexaperchlorate
Acta Crystallographica Section E, 2010, 66, m193-m194
2225076 CIF
HKL
Paper
C21 H19 N3 O4P 15.0915; 8.3251; 11.611
71.29; 87.74; 76.1
452.12Meng, Na-Na; Huang, Ting-Ting; Li, De-Kuan; Zhang, Wen-Xin; Yu, Luo-Ting
4-[4-(3-Methoxybenzamido)phenoxy]-<i>N</i>-methylpicolinamide
Acta Crystallographica Section E, 2010, 66, o476
2225094 CIF
HKL
Paper
C12 H12 O2 SP 16.8281; 7.7624; 11.8748
71.733; 79.051; 73.488
569.5Tang, Jie; Xia, Ai-Bao; Jiang, Jun-Rong; Wang, Yifeng
(<i>R</i>)-2-(2-Methoxyphenyl)-2,5-dihydrothiophene-3-carbaldehyde
Acta Crystallographica Section E, 2010, 66, o352
2225211 CIF
HKL
Paper
C27 H33 Cl O2 RuP 19.833; 10.572; 12.785
108.13; 97.62; 102.54
1203.9Harrad, Mohamed Anouar; Valerga, Pedro; Puerta, M. Carmen; Ali, Mustapha Ait; El Firdoussi, Larbi; Karim, Abdellah
[(1<i>R</i>)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-onato-κ^2^<i>O</i>,<i>O</i>']chlorido(η^6^-<i>p</i>-cymene)ruthenium(II)
Acta Crystallographica Section E, 2010, 66, m281
2225376 CIF
HKL
Paper
C20 H14P 16.0754; 7.6324; 14.5662
97.997; 97.179; 90.526
663.38Ye, Jian; Shi, Zi-Fa; Sun, Chun-Lin; Xu, Zhu-Guo; Zhang, Hao-Li
2-(Naphthalen-2-yl)azulene
Acta Crystallographica Section E, 2010, 66, o592-o593
2225471 CIF
HKL
Paper
C5 H3 Cl N2 O2P 13.7599; 5.8641; 7.0189
84.687; 89.668; 76.02
149.5Ng, Seik Weng
2-Chloro-5-nitropyridine
Acta Crystallographica Section E, 2010, 66, o848
2225633 CIF
HKL
Paper
C24 H28 B3 PP 17.0314; 19.82; 19.832
87.995; 79.779; 79.78
2676.8Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Pszolla, Christian
Tetraphenylphosphonium octahydrotriborate
Acta Crystallographica Section E, 2010, 66, o833
2225832 CIF
HKL
Paper
C20 H23 N3 O7P 17.032; 7.759; 9.58
85.44; 81.89; 71.84
491.34Di, Kai
(2<i>S</i>*)-2-Ammonio-3-(1<i>H</i>-indol-3-yl)propionate pyridine-2,4-dicarboxylic acid ethanol solvate
Acta Crystallographica Section E, 2010, 66, o1125-o1126
2225960 CIF
HKL
Paper
C34 H39 N O10P 17.772; 14.603; 15.06
75.313; 82.182; 88.367
1638Chao, Bo; Wang, Xing-Hai; Sun, Jian; Qiu, Zhui-Bai
(3<i>S</i>,4<i>R</i>)-3-Ethyl-4-hydroxy-3-(3-methoxyphenyl)-1-methylazepanium (2<i>R</i>,3<i>R</i>)-2,3-bis(benzoyloxy)-3-carboxypropionate
Acta Crystallographica Section E, 2010, 66, o1092
2226137 CIF
HKL
Paper
C36 H54 O3 SP 17.0361; 11.235; 21.155
90.777; 96.166; 101.153
1630.23Ketuly, Kamal Aziz; Hadi, A. Hamid A.; Khaledi, Hamid; Tiekink, Edward R. T.
5,22-Stigmastadien-3β-yl <i>p</i>-toluenesulfonate
Acta Crystallographica Section E, 2010, 66, o1336
2226412 CIF
HKL
Paper
C34 H54 N2 O4P 16.871; 10.1701; 11.7947
79.143; 88.043; 83.855
804.71Guéret, Stéphanie M.; Boyd, Peter D. W.; Brimble, Margaret A.
(1<i>R</i>,6<i>R</i>,13<i>R</i>,18<i>R</i>)-(<i>Z</i>,<i>Z</i>)-1,18-Bis[(4<i>R</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,16-dimethylene-8,20-diazadispiro[5.6.5.6]tetracosa-7,19-diene
Acta Crystallographica Section E, 2010, 66, o1778-o1779
2226573 CIF
HKL
Paper
C19 H73 N12 O113.5 P2 W24P 112.7271; 13.3286; 18.9177
71.328; 81.316; 64.751
2749.3Alizadeh, Mohammad Hasan; Mohammadi Zonoz, Irandokht
12-Tungstophosphoric acid‒1,1'-methylenebis(imidazolidine-2,4-dione)‒imidazolidine-2,4-dione‒water (2/1/4/21.5)
Acta Crystallographica Section E, 2010, 66, m839
2226600 CIF
HKL
Paper
C16 H18 N2 O9P 13.8478; 10.2231; 11.2982
85.522; 80.707; 81.826
433.45Chang, Hong; Yang, You-Li; Wang, Xiu-Guang; Yang, En-Cui
Benzimidazolium 3,5-dicarboxybenzoate trihydrate
Acta Crystallographica Section E, 2010, 66, o1738
2227045 CIF
HKL
Paper
C18 H16 N2 OP 19.7383; 9.9035; 15.2809
101.414; 99.188; 90.065
1425.24Khan, F. Nawaz; Roopan, S. Mohana; Malathi, N.; Hathwar, Venkatesha R.; Akkurt, Mehmet
<i>N</i>-[2-(4-Methyl-2-quinolyl)phenyl]acetamide: a <i>P</i>1 structure with <i>Z</i> = 4
Acta Crystallographica Section E, 2010, 66, o2043-o2044
2227138 CIF
HKL
Paper
C31 H43 N O6P 18.367; 8.5937; 10.917
75.312; 87.779; 68.15
703.4Li, Li-mei; Liu, Yang; Yang, Tai; Yu, Kai-bei; Zou, Qiang
Epoxycytochalasin H methanol solvate
Acta Crystallographica Section E, 2010, 66, o2176-o2177
2227150 CIF
HKL
Paper
C18 H18 N4 O6P 14.6675; 5.7001; 16.645
90.457; 92.087; 97.319
438.91de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.
Benzyl <i>N</i>-{(1<i>S</i>)-2-hydroxy-1-[<i>N</i>'-(2-nitrobenzylidene)hydrazinylcarbonyl]ethyl}carbamate
Acta Crystallographica Section E, 2010, 66, o2023-o2024
2227223 CIF
HKL
Paper
C29 H33 N O2 S2 SnP 110.75; 11.3594; 12.5494
79.494; 81.89; 75.294
1450.15Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng
<i>catena</i>-Poly[[tribenzyltin(IV)]-μ-2-(piperidin-1-ylcarbothioylsulfanyl)acetato-κ^2^<i>O</i>:<i>O</i>']
Acta Crystallographica Section E, 2010, 66, m1222
2227587 CIF
HKL
Paper
C23 H32 O6P 17.4017; 7.745; 10.215
99.51; 94.7; 114.97
516He, Chao-Jun; Wang, Min; Sun, Hua; Liu, Zeng-bing; Fu, Yu-wan
12β,14-Dihydroxy-3-oxo-5β,20(22)-cardenolide monohydrate
Acta Crystallographica Section E, 2010, 66, o2704
2227637 CIF
HKL
Paper
C18 H10 Br F N Ni S10P 16.2952; 9.716; 11.482
65.953; 77.592; 88.498
624.9Zhang, Peng; Li, Kaihui; Mei, Chongzhen
1-(4-Bromo-2-fluorobenzyl)pyridinium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)
Acta Crystallographica Section E, 2010, 66, m1367
2227980 CIF
HKL
Paper
C31 H52 OP 16.2684; 7.1162; 16.0814
96.812; 91.079; 114.397
646.85He, Xixin; Li, Yajun; Zhang, Cuixian; Hu, Xiaopeng
Arborinol methyl ether from <i>Areca catechu</i> L.
Acta Crystallographica Section E, 2010, 66, o2273-o2274
2228425 CIF
HKL
Paper
C21 H17 Cl F N3 O2P 16.0341; 8.25; 10.2448
108.837; 104.782; 92.792
461.9Shahani, Tara; Fun, Hoong-Kun; Ragavan, R. Venkat; Vijayakumar, V.; Venkatesh, M.
1-{[5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1<i>H</i>-pyrazol-3-yl]carbonyl]}piperidin-4-one
Acta Crystallographica Section E, 2010, 66, o3233-o3234
2228620 CIF
HKL
Paper
C23 H32 O4P 18.2802; 8.6819; 14.1363
94.13; 97.028; 90.603
1005.78Yousuf, Sammer; Ahmed, Rida; Ali, Zulfiqar; Choudhary, M. Iqbal; Ng, Seik Weng
(20<i>S</i>)-20-Acetoxy-4-pregnene-3,16-dione from <i>Commiphora wightii</i>
Acta Crystallographica Section E, 2010, 66, o3301
2228646 CIF
HKL
Paper
C24 H30 N2 O6P 15.847; 8.981; 11.63
80.456; 83.922; 76.971
585.3Keyari, Charles M.; Polt, Robin; Nichol, Gary S.
(<i>S</i>)-Methyl 2-{(<i>S</i>)-2-[bis(4-methoxyphenyl)methylideneamino]-3-hydroxypropanamido}-3-methylbutanoate
Acta Crystallographica Section E, 2011, 67, o13-o14
2229054 CIF
HKL
Paper
C16 H16 N2 OP 17.1044; 9.7393; 10.9236
109.731; 91.799; 100.679
695.51Tahir, M. Nawaz; Shad, Hazoor Ahmad
<i>N</i>-{4-[(<i>E</i>)-(4-Methylphenyl)iminomethyl]phenyl}acetamide
Acta Crystallographica Section E, 2011, 67, o443
2229062 CIF
HKL
Paper
C15 H8 Cl4 OP 13.8879; 6.751; 13.7788
97.62; 96.177; 92.017
355.93Fun, Hoong-Kun; Yeap, Chin Sing; Prasad, D. Jagadeesh; Nayak, Suresh P.; Laxmana, K.
(<i>E</i>)-3-(4-Chlorophenyl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one
Acta Crystallographica Section E, 2011, 67, o241
2229064 CIF
HKL
Paper
C9 H10 O4P 14.4235; 5.685; 8.705
80.819; 79.943; 81.804
211.3Jeyalaxmi, M.; Jagadeesan, G.; Arulmoli, J.; Singh, D. Roop; Aravindhan, S.
2-Hydroxyethyl 4-hydroxybenzoate
Acta Crystallographica Section E, 2011, 67, o442
2229171 CIF
HKL
Paper
C36 H24 Cl10 N4 O2P 111.879; 12.445; 15.039
96.71; 110.9; 103.98
1964.3Holakovský, Roman; Pojarová, Michaela; Dušek, Michal; Čejka, Jan; Císařová, Ivana
(<i>R</i>)-2,2'-Bis[<i>N</i>'-(3,5-dichlorophenyl)ureido]-1,1'-binaphthalene chloroform disolvate
Acta Crystallographica Section E, 2011, 67, o384-o385
2229209 CIF
HKL
Paper
C58 H96 N2 O4P 19.5892; 16.1622; 19.5255
65.832; 89.562; 81.364
2724.7Tabassum, Zishan; Sulaiman, Othman; Ibrahim, M. N. Mohamad; Quah, Ching Kheng; Fun, Hoong-Kun
<i>N</i>,<i>N</i>'-Bis(3β-acetoxy-5α-cholest-6-ylidene)hydrazine
Acta Crystallographica Section E, 2011, 67, o522-o523
2229269 CIF
HKL
Paper
C24 H60 N20 O50 Si W12P 112.4512; 13.1805; 13.4065
93.856; 116.331; 116.45
1666.58Yousefi, Mohammad; Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Gholizadeh, Ahmad; Nikpour, Mohsen
Tetrakis{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholin-4-ium} dodecatungstosilicate hexahydrate
Acta Crystallographica Section E, 2011, 67, m271-m272
2229364 CIF
HKL
Paper
C4 H12 Cl N O3P 14.9461; 6.0134; 6.6853
101.833; 93.533; 92.112
194Lutz, Martin; Schouten, Arie
<small>L</small>-Alanine methyl ester hydrochloride monohydrate
Acta Crystallographica Section E, 2011, 67, o586
2229383 CIF
HKL
Paper
C28 H38 O11P 18.66; 11.3; 14.55
85.74; 89.13; 88.16
1419Brzezinski, Krzysztof; Wałejko, Piotr; Baj, Aneta; Witkowski, Stanisław; Dauter, Zbigniew
2,2,5,7,8-Pentamethylchroman-6-yl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranoside from synchrotron data
Acta Crystallographica Section E, 2011, 67, o718
2229629 CIF
HKL
Paper
C21 H24 O11P 15.7868; 8.9166; 11.4716
102.473; 93.481; 102.78
559.96Heidelberg, Thorsten; Hussen, Rusnah Syahila Duali; Rodzi, Nasrul Zamani Mohd; Ng, Seik Weng; Tiekink, Edward R. T.
4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside
Acta Crystallographica Section E, 2011, 67, o825
2229673 CIF
HKL
Paper
C8 H14 O4P 15.7301; 6.3493; 6.4964
92.863; 97.223; 108.258
221.67Arfan, Mohammad; Hussain, Syed Hamid; Tahir, M. Nawaz; Rafique, Jamal; Shaheen, Farzana
2-[(1<i>R</i>*,4<i>R</i>*)-1,4-Dihydroxycyclohexyl]acetic acid
Acta Crystallographica Section E, 2011, 67, o968
2230318 CIF
HKL
Paper
C12 H17 N O3 SP 15.3221; 5.8369; 10.5564
98.2; 90.78; 96.849
322.1Brancatelli, Giovanna; Bruno, Giuseppe; Nicoló, Francesco; Canfora, Loredana; Ruisi, Giuseppe
(<i>S</i>)-2-[(2-Hydroxybenzyl)azaniumyl]-4-(methylsulfanyl)butanoate
Acta Crystallographica Section E, 2011, 67, o1366-o1367
2230319 CIF
HKL
Paper
C33 H24 N4P 14.6051; 6.0189; 22.2172
88.393; 88.521; 78.044
602.09Djamel, Daoud; Tahar, Douadi; Djahida, Haffar; Hanane, Hammani; Salah, Chafaa
4,4'-Methylenebis{<i>N</i>-[(<i>E</i>)-quinolin-2-ylmethylidene]aniline}
Acta Crystallographica Section E, 2011, 67, o1318
2230583 CIF
HKL
Paper
C19 H38 O7P 15.842; 7.3366; 12.7922
74.56; 83.091; 68.93
492.97Andrade, L. C. R.; de Almeida, M. J. B. M.; Paixão, J. A.; Carvalho, J. F. S.; Sá e Melo, M. L.
Androstane-3β,5α,6β,17β-tetrol trihydrate
Acta Crystallographica Section E, 2011, 67, o1643-o1644
2230680 CIF
HKL
Paper
C16 H23 N3 O5P 15.3323; 5.72; 14.3319
79.919; 83.686; 76.505
417.41Pinheiro, Alessandra C.; de Souza, Marcus V. N.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.
<i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(1<i>E</i>)-4-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate
Acta Crystallographica Section E, 2011, 67, o1805-o1806
2230683 CIF
HKL
Paper
C18 H18 Cl N3 O4P 14.6804; 5.6037; 16.946
95.669; 95.886; 94.467
438.2de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.; Wardell, James L.
Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2-chlorobenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)carbamate
Acta Crystallographica Section E, 2011, 67, o1868-o1869
2231115 CIF
HKL
Paper
C16 H11 Cl OP 13.8649; 6.5233; 12.1703
91.374; 95.914; 103.483
296.43Ali, Mohamed Ashraf; Choon, Tan Soo; Lan, Lim Yee; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
(<i>E</i>)-2-(4-Chlorobenzylidene)indan-1-one
Acta Crystallographica Section E, 2011, 67, o2064
2231121 CIF
HKL
Paper
C16 H23 N3 O6P 15.3101; 5.7301; 14.651
80.364; 84.788; 74.845
423.7Wardell, James L.; de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Tiekink, Edward R. T.; Wardell, Solange M. S. V.
<i>tert</i>-Butyl <i>N</i>-((1<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(<i>E</i>)-2-hydroxy-4-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate
Acta Crystallographica Section E, 2011, 67, o1888-o1889
2231595 CIF
HKL
Paper
C79 H88 N2P 110.4847; 10.8571; 14.8431
77.447; 82.283; 85.908
1632.76Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood
1,2-Bis{[3,5-bis(2,6-diisopropylphenyl)phenyl]imino}acenaphthene toluene monosolvate
Acta Crystallographica Section E, 2011, 67, o2280
2231842 CIF
HKL
Paper
C26 H31 N O4P 17.7191; 8.51; 9.963
79.971; 67.663; 64.605
546.81Zheng, Xing-Liang; Jiang, Ning-Fei; Luo, Dan; Gao, Hong-Sheng; Ding, Ai-Shun
(7<i>R</i>,8<i>S</i>,9<i>S</i>,12<i>S</i>)-1-Benzyloxy-13,14-didehydro-12-hydroxy-2,13-dimethoxy-<i>N</i>-methylmorphinane
Acta Crystallographica Section E, 2011, 67, o2662-o2663
2231844 CIF
HKL
Paper
C14.5 H23 Br Cl N O1.5P 17.8614; 9.41; 11.8477
85.783; 78.159; 89.45
855.46Liu, Min; Hu, Xiu-Rong; Gu, Jian-Ming; Tang, Gu-Ping
Bupropion hydrobromide propanol hemisolvate
Acta Crystallographica Section E, 2011, 67, o2772
2232092 CIF
HKL
Paper
C10 H16 N2 O8 PdP 14.8858; 5.1605; 13.3651
93.725; 99.734; 104.245
319.9Seifert, Antje; Wagner, Christoph; Merzweiler, Kurt
Bis(hydrogen <small>L</small>-glutamato)palladium(II)
Acta Crystallographica Section E, 2011, 67, m1362
2232110 CIF
HKL
Paper
C21 H27 Cl F N3 O5P 16.728; 10.6406; 15.3127
91.7293; 91.1313; 100.882
1075.67Qian, Jing-Jing; Gu, Jian-Ming; Shen, Jin; Hu, Xiu-Rong; Wu, Su-Xiang
Moxifloxacinium chloride monohydrate
Acta Crystallographica Section E, 2011, 67, o2773-o2774
2232787 CIF
HKL
Paper
C38 H56 F4 N8 O15 SP 17.1961; 9.6892; 15.6136
84.76; 83.045; 88.619
1076.03Li, Tao; Yang, Lin; Wang, Yuan Cheng; Lian, Qiang
Bis[(2<i>R</i>,6<i>S</i>)-4-(5-amino-3-carboxy-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2,6-dimethylpiperazin-1-ium] sulfate pentahydrate
Acta Crystallographica Section E, 2011, 67, o3366-o3367
2233340 CIF
HKL
Paper
C6 H24 F2 N12 O10 P2P 16.7523; 8.2926; 9.7297
100.63; 90.885; 99.168
528.05Fábry, Jan; Fridrichová, Michaela; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila
Tris(2-carbamoylguanidinium) hydrogen fluorophosphonate fluorophosphonate monohydrate
Acta Crystallographica Section E, 2012, 68, o47-o48
2233411 CIF
HKL
Paper
C30 H37.667 N O6.333P 15.1786; 15.3176; 20.3554
98.495; 92.109; 91.12
1595.36Gainsford, Graeme J.; Luxenburger, Andreas
(9<i>H</i>-Fluoren-9-yl)methyl <i>N</i>-{(2<i>R</i>,3<i>R</i>,4<i>S</i>)-4-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-5-oxooxolan-3-yl}carbamate propan-2-ol 0.334-solvate
Acta Crystallographica Section E, 2012, 68, o403-o404
2233875 CIF
HKL
Paper
C45 H36 Cl O2 P2 RhP 19.2108; 9.7453; 11.354
103.01; 104.59; 105.09
905Meissner, Antje; Selle, Carmen; Drexler, Hans-Joachim; Heller, Detlef
(+)-Chlorido[(1,2,3,4-η;κ<i>P</i>^2'^)-2'-diphenylphosphanyl-2-diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate
Acta Crystallographica Section E, 2012, 68, m259
2235119 CIF
HKL
Paper
C34 H31 N O4 SnP 19.8575; 16.8894; 18.9812
110.444; 96.082; 93.384
2928.74Gueye, Ndongo; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabrielle
Dibenzylazanium (oxalato-κ^2^<i>O</i>,<i>O</i>')triphenylstannate(IV)
Acta Crystallographica Section E, 2012, 68, m854-m855
2235648 CIF
HKL
Paper
C21 H32 N4 O2P 19.4557; 11.058; 11.0715
113.187; 99.919; 92.815
1039.46Petrik, Sebastian J.; Brown, Christopher L.; Boyd, Sue E.; Healy, Peter C.
Dicyclohexylammonium (<i>S</i>)-2-azido-3-phenylpropanoate
Acta Crystallographica Section E, 2012, 68, o2050
2236196 CIF
HKL
Paper
C18 H26 O5P 15.0734; 11.618; 14.718
87.388; 86.595; 89.78
865.1Drzymala, Sarah; Kraus, Werner; Emmerling, Franziska; Koch, Matthias
(3<i>S</i>,7<i>R</i>)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1<i>H</i>-2-benzoxacyclotetradecin-1-one.
Acta Crystallographica Section E, 2012, 68, o3071
2236315 CIF
HKL
Paper
C26 H31 N O3P 15.8542; 9.0365; 11.352
108.59; 93.94; 101.23
552.8Shang, Zhenhua; Xu, Longpeng; Zheng, Ligang; Zhang, Yong
Benzyl 2-benzyl-4-[(3a<i>S</i>,7a<i>R</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-isoindol-2-yl]-4-oxobutanoate
Acta Crystallographica Section E, 2012, 68, o2853
2236560 CIF
HKL
Paper
C16 H24 Br4 N2 ZnP 17.3627; 9.031; 9.1854
101.741; 110.778; 96.321
547.89Ali, Basem F.; Haddad, Salim F.; Al-Far, Rawhi
Bis(2,4,6-trimethylpyridinium) tetrabromidozincate
Acta Crystallographica Section E, 2012, 68, m1320
2236604 CIF
HKL
Paper
C16 H14 Cl N O3 SP 14.0656; 7.7855; 12.242
96.263; 91.38; 97.228
381.84Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmad, Shakil
5-Chloro-2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
Acta Crystallographica Section E, 2012, 68, o3057
2236837 CIF
HKL
Paper
C21 H21 N OP 15.7806; 7.9407; 9.6089
82.579; 76.793; 83.51
424.21Madeley, Lee G.; Morgans, Garreth L.; Lemmerer, Andreas; Michael, Joseph P.
(2<i>E</i>)-1-Phenyl-2-[1-(2-phenylprop-2-en-1-yl)pyrrolidin-2-ylidene]ethanone
Acta Crystallographica Section E, 2012, 68, o3281
2237013 CIF
HKL
Paper
C12 H14 N2 OP 18.7816; 9.1233; 14.773
96.66; 107.15; 90.83
1121.8Li, Dong-Ping; Li, Min; Li, Shuai; Hu, Hang-Na
(±)-1-(1-Allyl-1<i>H</i>-benzimidazol-2-yl)ethanol
Acta Crystallographica Section E, 2012, 68, o3254
2237656 CIF
HKL
Paper
C46 H74 N4 O18 S2P 110.4595; 11.902; 12.6423
69.439; 70.466; 67.058
1320.95Ham, Zoran; Meden, Anton; Kasunič, Marta
Bis{(<i>R</i>)-1-(3-aminosulfonyl-4-methoxyphenyl)-<i>N</i>-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate
Acta Crystallographica Section E, 2013, 69, o516-o517
2237906 CIF
HKL
Paper
C20 H55.5 N4 O17.75 Pd4 S4P 112.4517; 13.268; 15.1666
113.527; 98.425; 108.557
2067.3Yokoi, Anzu; Yoshinari, Nobuto; Konno, Takumi
<i>cyclo</i>-Tetrakis(μ~2~-<small>D</small>-penicillaminato-κ^4^<i>N</i>,<i>S</i>:<i>O</i>,<i>S</i>)tetrapalladium(II) 9.75-hydrate
Acta Crystallographica Section E, 2013, 69, m288-m289
2237919 CIF
HKL
Paper
C8 H13 N O2 SeP 17.05; 7.442; 10.334
85.166; 86.22; 64.682
488.1Guzei, Ilia A.; Choudhary, Amit; Raines, Ronald T.
Pyramidalization of a carbonyl C atom in (2<i>S</i>)-<i>N</i>-(selenoacetyl)proline methyl ester
Acta Crystallographica Section E, 2013, 69, o805-o806
2238024 CIF
HKL
Paper
C24 H30 Cl2 N2 O4 PdP 110.6095; 12.387; 14.6878
101.376; 93.421; 101.996
1840.79Hobart, Jr, David B.; Merola, Joseph S.
(<i>S</i>)-α-Benzylprolinium <i>cis</i>-[(<i>S</i>)-α-benzylprolinato]dichloridopalladium(II)
Acta Crystallographica Section E, 2013, 69, m261-m262
2238100 CIF
HKL
Paper
C19 H17 O5.5 S0.5P 16.6842; 9.6173; 25.4682
95.78; 95.669; 90.028
1620.82Vetter, Antje; Seichter, Wilhelm; Weber, Edwin
5-(Naphthalen-1-yl)isophthalic acid–dimethyl sulfoxide–water (2/1/2)
Acta Crystallographica Section E, 2013, 69, o912-o913
2238660 CIF
Paper
C13 H22 O6P 15.503; 8.113; 9.122
99.65; 103.69; 98.86
382da Forezi, Luana; Silva, Marcos Moitrel Pequeno; da Santos, Fernanda; Ferreira, Vitor Francisco; Souza, Maria Cecília Bastos Vieira de
1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-α-<small>D</small>-allofuranose
Acta Crystallographica Section E, 2013, 69, o1512
2238705 CIF
Paper
C16 H24 Cl2 OP 16.5835; 9.2584; 12.8428
85.14; 84.795; 89.067
776.74Benharref, Ahmed; EL Karroumi, Jamal; Daran, Jean-Claude; Berraho, Moha
(1<i>R</i>,4<i>R</i>,6<i>S</i>,7<i>S</i>)-5,5-Dichloro-1,4,8,8-tetramethyltricyclo[5.4.1^1,7^.0^4,6^]dodecan-12-one
Acta Crystallographica Section E, 2013, 69, o1703
2238861 CIF
Paper
C18 H21 Br F N O2P 14.9248; 5.5117; 16.3894
83.721; 89.038; 86.765
441.48Rousselin, Yoann; Laureano, Hugo; Clavel, Alexandre
A triclinic polymorph of ({-})-(<i>S</i>)-<i>N</i>-benzyl-2-[(<i>R</i>)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide
Acta Crystallographica Section E, 2013, 69, o1794-o1795
2238980 CIF
HKL
Paper
C17 H20 Cl3 N O6P 15.6684; 8.601; 10.336
87.72; 85.696; 85.649
500.8Flores, Alex Fabiani Claro; de Vicenti, Juliano Rosa; Pizzuti, Lucas; Campos, Patrick Teixeira
(<i>S</i>,<i>Z</i>)-3-Phenyl-2-[(1,1,1-trichloro-7-methoxy-2,7-dioxohept-3-en-4-yl)amino]propanoic acid monohydrate
Acta Crystallographica Section E, 2014, 70, o169-o170
2239065 CIF
HKL
Paper
C11 H12 F I N4 O3P 15.2602; 7.157; 9.0126
84.533; 83.4; 78.679
329.57Li, Wei; Yang, Ruchun; Xiao, Qiang
(2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-5-(4-Amino-5-iodo-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol
Acta Crystallographica Section E, 2014, 70, o120
2239167 CIF
HKL
Paper
C9 H10 N4 O SP 14.2117; 6.1891; 10.0641
100.59; 94.916; 104.589
247.14Sarojini, B. K.; Manjula, P. S.; Kaur, Manpreet; Anderson, Brian J.; Jasinski, Jerry P.
4-Amino-3-(4-hydroxybenzyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
Acta Crystallographica Section E, 2014, 70, o48-o49
2239270 CIF
HKL
Paper
C28 H36 O8P 18.6763; 9.1233; 19.1545
86.328; 82.578; 67.903
1392.87Gültekin, Zeynep; Civan, Mehmet; Frey, Wolfgang; Hökelek, Tuncer
Methyl 6-<i>O</i>-trityl-α-<small>D</small>-glucopyranoside methanol disolvate
Acta Crystallographica Section E, 2014, 70, o492-o493
2239310 CIF
HKL
Paper
C16 H24 Br2 OP 16.655; 9.4142; 12.9389
86.008; 83.921; 89.511
804.13Zaki, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha
(1<i>R</i>,4<i>R</i>,6<i>S</i>,7<i>R</i>)-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.0^4,6^]dodecan-12-one
Acta Crystallographica Section E, 2014, 70, o526
2239928 CIF
HKL
C10 H16 N2 O7P 17.176; 9.9359; 10.716
117.528; 104.792; 91.701
645.3Jovita, J. V.; Sathya, S.; Usha, G.; Vasanthi, R.; Ramanand, A.
Crystal structure of 2-amino-4-methylpyridin-1-ium (2<i>R</i>,3<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate monohydrate
Acta Crystallographica Section E, 2014, 70, o1036-o1037
2240390 CIF
HKL
C22 H19 N O2 SP 15.7708; 8.0867; 19.6929
81.844; 86.664; 85.662
906.05Hebbachi, Rabihe; Djedouani, Amel; Kadri, Soumia; Mousser, Hénia; Mousser, Abdelhamid
Crystal structure of (<i>E</i>)-1-[4-({4-[(4-methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one
Acta Crystallographica Section E, 2015, 71, o109-o110
2240981 CIF
HKL
Paper
C51 H66 Cl3 Co N8 O22P 18.808; 9.5032; 16.9321
84.237; 81.674; 85.652
1392.6Ohmagari, Hitomi; Nakaya, Manabu; Ohtani, Ryo; Nakamura, Masaaki; Hayami, Shinya
Crystal structure of bis[4'-(1,4,7,10-tetraoxa-13- azacyclopentadecan-13-yl)-2,2':6',2''-terpyridine]cobalt(III) tris(perchlorate) methanol monosolvate monohydrate
Acta Crystallographica Section E, 2015, 71, 997-999
2241102 CIF
HKL
Paper
C43 H57 Cl3 N4 O7P 19.2194; 10.8908; 11.8698
63.489; 86.467; 89.069
1064.38Wenger, Emmanuel; Moulat, Laure; Legrand, Baptiste; Amblard, Muriel; Calmès, Monique; Didierjean, Claude
Crystal structure of Boc-(<i>S</i>)-ABOC-(<i>S</i>)-Ala-(<i>S</i>)-ABOC-(<i>S</i>)-Phe-OBn chloroform monosolvate
Acta Crystallographica Section E, 2015, 71, 1193-1195
2241287 CIF
HKL
Paper
C15 H16 Cl2 Hg N2P 17.6194; 9.2982; 12.2341
94.597; 103.178; 94.222
837.43Hernández, Guadalupe; Bernès, Sylvain; Portillo, Oscar; Ruíz, Alejandro; Moreno, Gloria E.; Gutiérrez, René
Crystal structures of three mercury(II) complexes [HgCl~2~<i>L</i>] where <i>L</i> is a bidentate chiral imine ligand
Acta Crystallographica Section E, 2015, 71, 1462-1466
2241559 CIF
HKL
Paper
C26 H26 N2 SP 15.9093; 7.6258; 12.657
87.802; 78.329; 87.427
557.76Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René
Crystal structures of four chiral imine-substituted thiophene derivatives
Acta Crystallographica Section E, 2016, 72, 350-354
2241637 CIF
HKL
Paper
C5 H11 Na O8 SP 14.8558; 5.8496; 8.795
76.517; 81.528; 71.392
229.51Haines, Alan H.; Hughes, David L.
Crystal structure of sodium (1<i>S</i>)-<small>D</small>-lyxit-1-ylsulfonate
Acta Crystallographica Section E, 2016, 72, 628-631
2241700 CIF
HKL
Paper
C27 H25 F9 N2 O4P 17.521; 13.3056; 14.8445
69.283; 76.336; 85.759
1350.06Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.
A kryptoracemic salt: 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium (+)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Acta Crystallographica Section E, 2016, 72, 872-877
2242344 CIF
HKL
Paper
C19 H18 Cl N3 O5 SP 19.0184; 10.998; 11.2386
63.426; 74.414; 78.144
955.56Shen, Jie; Tang, Gu-Ping; Hu, Xiu-Rong
Crystal structure of (<i>S</i>)-5-chloro-<i>N</i>-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl}methyl)thiophene-2-carboxamide
Acta Crystallographica Section E, 2018, 74, 51-54
2242349 CIF
HKL
Paper
C10 H19 N O7P 15.8008; 9.636; 10.676
87.766; 86.33; 82.042
589.5Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.
Crystal structure and hydrogen bonding in <i>N</i>-(1-deoxy-β-<small>D</small>-fructopyranos-1-yl)-2-aminoisobutyric acid
Acta Crystallographica Section E, 2018, 74, 72-77
2242496 CIF
HKL
Paper
C61 H50 Cl8 Fe2 P4P 19.8771; 12.6516; 12.8258
81.058; 83.05; 68.335
1467.87McNeil, Jr, Derek L.; Beckford, Daihlia J.; Kneebone, Jared L.; Carpenter, Stephanie H.; Brennessel, William W.; Neidig, Michael L.
Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands
Acta Crystallographica Section E, 2018, 74, 803-807
2242589 CIF
HKL
Paper
C22 H31 N3 O6 S2P 17.7292; 7.9892; 11.2035
108.3; 92.553; 101.499
639.36Tang, Chao; Cai, Li; Liu, Shuai; Zheng, Zhiwei; Li, Gen; Chen, Jianli; Sui, Qiang
Crystal structure of tebipenem pivoxil
Acta Crystallographica Section E, 2018, 74, 1215-1217
2242621 CIF
HKL
Paper
C19 H26 O3 SiP 114.7668; 15.5936; 17.227
111.053; 91.616; 92.898
3692.7Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.; e Silva, Maria Joselice
Crystal structure of (<i>S</i>)-1-<i>O</i>-<i>tert</i>-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell
Acta Crystallographica Section E, 2018, 74, 1373-1379
2242622 CIF
HKL
C19 H26 O3 SiP 114.7922; 15.6306; 17.2048
110.901; 91.705; 92.851
3706.8Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.; e Silva, Maria Joselice
Crystal structure of (<i>S</i>)-1-<i>O</i>-<i>tert</i>-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell
Acta Crystallographica Section E, 2018, 74, 1373-1379
2242941 CIF
HKL
C12 H20 Cd2 Cl6 N6 O4P 17.154; 8.2591; 10.4459
108.502; 97.499; 94.512
575.54Mohamedi, Nacira; Elleuch, Slim; Boufas, Sihem; Legouira, Messaoud; Djazi, Faiçal
Crystal structure of di-μ-chlorido-bis[dichlorido(<small>L</small>-histidinium-κ<i>O</i>)cadmium(II)]
Acta Crystallographica Section E, 2019, 75, 823-825
2243150 CIFC30 H20 Cl2 O2 SeP 14.9468; 5.8712; 21.353
85.019; 84.094; 86.465
613.68Bouraoui, Hazem; Mechehoud, Youcef; Chetioui, Souheyla; Touzani, Rachid; Medjani, Meriem; Benmilat, Ahmed; Boudjada, Ali
Crystal structure and Hirshfeld surface analysis of (2<i>E</i>,2'<i>E</i>)-1,1'-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]
Acta Crystallographica Section E, 2019, 75, 1724-1728
2243160 CIF
HKL
Paper
C19 H19 N5 O5P 16.9346; 8.438; 16.6963
79.826; 89.848; 80.488
948.03Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Souza, Marcus V. N.; da Costa, Cristiane F.
Crystal structure, Hirshfeld surface analysis and PIXEL calculations of a 1:1 epimeric mixture of 3-[(4-nitrobenzylidene)amino]-2(<i>R,S</i>)-(4-nitrophenyl)-5(<i>S</i>)-(propan-2-yl)imidazolidin-4-one
Acta Crystallographica Section E, 2019, 75, 1774-1782
2243286 CIF
HKL
Paper
C96 H194 Li2 O98P 115.00386; 17.0413; 17.64915
117.041; 96.8906; 96.8281
3912.77Krukle-Berzina, Kristine; Belyakov, Sergey; Mishnev, Anatoly; Shubin, Kirill
Crystal structure of a two-dimensional metal‒organic framework assembled from lithium(I) and γ-cyclodextrin
Acta Crystallographica Section E, 2020, 76, 349-353
2243872 CIF
HKL
C28 H40 O7P 16.2374; 9.5938; 11.351
112.81; 96.49; 93.13
618.5Okmanov, R. Ya.; Makhmudova, M. M.; Bobaev, I. D.; Tashkhodjaev, B.
Withanolides from <i>Physalis angulata</i> L.
Acta Crystallographica Section E, 2021, 77, 804-808
2243883 CIF
HKL
Paper
C16 H13 N3 O2 SP 14.71248; 6.96463; 11.5455
105.617; 95.7876; 95.9993
359.638Azzam, Rasha A.; Elgemeie, Galal H.; Seif, Mona M.; Jones, Peter G.
Crystal structure of <i>N</i>'-[2-(benzo[<i>d</i>]thiazol-2-yl)acetyl]benzohydrazide, an achiral compound crystallizing in space group <i>P</i>1 with <i>Z</i> = 1
Acta Crystallographica Section E, 2021, 77
2243981 CIF
HKL
Paper
C48 H33 Cl O6P 16.2278; 9.6965; 14.9822
105.288; 97.126; 96.919
854.82Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Bogashchenko, Tatiana Yu.; Lyapunov, Alexander Yu.; Kirichenko, Tatiana I.
Fluorenonophane chlorobenzene solvate: molecular and crystal structures
Acta Crystallographica Section E, 2021, 77, 1285-1288
2244034 CIF
HKL
Paper
C24 H27 Cl F N3 O8P 17.2165; 8.8298; 10.1184
92.997; 95.219; 111.557
594.6Nugraha, Yuda Prasetya; Sugiyama, Haruki; Uekusa, Hidehiro
Ciprofloxacin salt and salt co-crystal with dihydroxybenzoic acids
Acta Crystallographica Section E, 2022, 78
2300204 CIF
Paper
C7 H6 Cl N3 O4 S2P 14.8481; 6.359; 8.9
74.49; 83.9; 80.53
260.22Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
A differential thermal expansion approach to crystal structure determination from powder diffraction data
Journal of Applied Crystallography, 2008, 41, 1089-1094
2300205 CIF
Paper
C7 H6 Cl N3 O4 S2P 14.8619; 6.377; 8.926
74.4; 83.93; 80.56
262.39Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
A differential thermal expansion approach to crystal structure determination from powder diffraction data
Journal of Applied Crystallography, 2008, 41, 1089-1094
2300206 CIF
Paper
C7 H6 Cl N3 O4 S2P 14.8707; 6.3951; 8.9448
74.368; 83.786; 80.459
264.01Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
A differential thermal expansion approach to crystal structure determination from powder diffraction data
Journal of Applied Crystallography, 2008, 41, 1089-1094
2300207 CIF
Paper
C7 H6 Cl N3 O4 S2P 14.8737; 6.4046; 8.9548
74.324; 83.751; 80.449
264.79Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
A differential thermal expansion approach to crystal structure determination from powder diffraction data
Journal of Applied Crystallography, 2008, 41, 1089-1094
2300208 CIF
Paper
C7 H6 Cl N3 O4 S2P 14.8786; 6.4126; 8.9665
74.266; 83.693; 80.445
265.63Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K.
A differential thermal expansion approach to crystal structure determination from powder diffraction data
Journal of Applied Crystallography, 2008, 41, 1089-1094
2300690 CIFCa2.86 H7.67 O10.92 Si2.2P 1200; 3.675; 100
90; 90; 90
73500Mesecke, Karsten; Warr, Laurence N.; Malorny, Winfried
Structure modeling and quantitative X-ray diffraction of C-(A)-S-H
Journal of Applied Crystallography, 2022, 55
2300691 CIFC48 H60 N24 O8 Zn6P 116.85; 16.85; 8.425
90; 90; 90
2392.05Metz, Peter C.; Purdy, Stephen C.; Ryder, Matthew R.; Ganesan, Arvind; Nair, Sankar; Page, Katharine
Detailed total scattering analysis of disorder in ZIF-8
Journal of Applied Crystallography, 2021, 54, 759-767
2300757 CIFC52 H48 F12 Hg P6P 19.9613; 11.6741; 11.9272
102.495; 107.125; 96.849
1268.99Kleemiss, Florian; Meurer, Florian; Shenderovich, Ilya G.; Bodensteiner, Michael
The use of effective core potentials in Hirshfeld atom refinement: making quantum crystallography faster in NoSpherA2
Journal of Applied Crystallography, 2025, 58
2300758 CIFC36 H31 Au I4 O2 P2P 19.23767; 10.52981; 10.54412
102.093; 112.84; 90.4679
919.677Kleemiss, Florian; Meurer, Florian; Shenderovich, Ilya G.; Bodensteiner, Michael
The use of effective core potentials in Hirshfeld atom refinement: making quantum crystallography faster in NoSpherA2
Journal of Applied Crystallography, 2025, 58
2310085 CIFAu5 Mn2P 19.188; 3.954; 6.479
90; 97.56; 90
233.332Humble, S.G.
Establishment of an ordered phase of composition Au5 Mn2 in the gold-manganese system
Acta Crystallographica (1,1948-23,1967), 1964, 17, 1485-1486
2310154 CIF
HKL
Paper
As39.51 Pb6.13 S136 Sb41.51 Tl16.85P 18.5197; 42.461; 16.293
83.351; 90.958; 84.275
5823Biagioni, Cristian; Moëlo, Yves; Favreau, Georges; Bourgoin, Vincent; Boulliard, Jean Claude
Structure of Pb-rich chabournéite from Jas Roux, France.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 81-88
2311427 CIF
Paper
C26 H30 N O10.5P 17.5106; 10.0155; 18.5203
75.646; 88.438; 86.344
1346.81Sivakumar, P.; Israel, S.; Chakkaravarthi, G.
Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.
Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1483-1487
2311471 CIF
Paper
C20 H22 N2 O2P 17.475; 7.7067; 14.6585
104.696; 92.637; 94.548
812.33Yahyazadeh, Mahdi; Jerz, Gerold; Selmar, Dirk; Winterhalter, Peter; Jones, Peter G.
Crystal structure of akuammicine, an indole alkaloid from <i>Catharanthus roseus</i>.
Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1658-1661
2311621 CIFC11 H12 N2 O2P 111.43; 11.464; 35.606
84.421; 87.694; 60.102
4025Görbitz, Carl Henrik; Törnroos, Karl Wilhelm; Day, Graeme M.
Single-crystal investigation of L-tryptophan with Z' = 16.
Acta crystallographica. Section B, Structural science, 2012, 68, 549-557
2311640 CIFC14 H12 N4 OP 13.7837; 10.8502; 15.22
109.226; 97.056; 91.514
584.03Tawfiq, Kinaan M.; Miller, Gary J.; Al-Jeboori, Mohamad J; Fennell, Paul S.; Coles, Simon J.; Tizzard, Graham J.; Wilson, Claire; Potgieter, Herman
Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014, 70, 379-389
2312118 CIF
HKL
Paper
C18 H16 O SiP 122.151; 24.498; 25.108
114.23; 101.09; 95.4
11963Krawczyk, Monika K.
Unusual flash cooling-induced phase in a crystal of triphenylsilanol.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251
2312119 CIF
HKL
Paper
C18 H16 O SiP 122.178; 24.504; 25.106
114.21; 101.16; 95.37
11978Krawczyk, Monika K.
Unusual flash cooling-induced phase in a crystal of triphenylsilanol.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251
2312123 CIF
HKL
Paper
C18 H16 O SiP 115.025; 19.506; 23.021
107.96; 102.68; 101.48
5997.5Krawczyk, Monika K.
Unusual flash cooling-induced phase in a crystal of triphenylsilanol.
Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023, 79, 245-251
2312385 CIF
HKL
Paper
C10 H13 N5 O3P 15.2027; 8.9738; 12.3715
78.249; 83.171; 76.338
547.97Leonard, Peter; Zhang, Aigui; Budow-Busse, Simone; Daniliuc, Constantin; Seela, Frank
α-D-2'-Deoxyadenosine, an irradiation product of canonical DNA and a component of anomeric nucleic acids: crystal structure, packing and Hirshfeld surface analysis.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 21-29
2312655 CIF
Paper
C31 H28 Fe O3 S3P 17.8298; 9.8573; 17.4937
93.379; 91.12; 98.051
1334.02Blockhaus, Tobias; Sünkel, Karlheinz
Molecular and crystal structures of six poly(arylsulfinyl)- and poly(arylsulfanyl)ferrocenes.
Acta crystallographica. Section C, Structural chemistry, 2024, 80, 716-727
2312787 CIF
HKL
Paper
C12 H15 N5 O5P 18.62; 9.1565; 9.6855
70.788; 72.942; 86.976
689.32Kondhare, Dasharath; Budow-Busse, Simone; Daniliuc, Constantin G.; Leonard, Peter
8-Ethynyl-2'-deoxyisoguanosine with two tautomeric forms in the unit cell: crystal structure, packing and Hirshfeld surface analysis.
Acta crystallographica. Section C, Structural chemistry, 2025, 81, 230-237
3000362 CIFO2 V0.992 W0.008P 15.70293; 4.55591; 5.39085
90; 122.337; 90
118.343Wilson, 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 CIFO2 V0.992 W0.008P 14.54028; 4.54028; 2.86067
90; 90; 90
58.97Wilson, 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 CIFO2 V0.975 W0.025P 15.77225; 4.54015; 5.40157
90; 122.914; 90
118.836Wilson, 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 CIFO2 V0.975 W0.025P 14.5539; 4.5539; 2.85868
90; 90; 90
59.283Wilson, 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 CIFO2 V0.964 W0.036P 14.55959; 4.55959; 2.85856
90; 90; 90
59.429Wilson, 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 CIFO2 V0.937 W0.063P 14.56377; 4.56377; 2.86364
90; 90; 90
59.644Wilson, 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 CIFO2 V0.911 W0.089P 14.56774; 4.56774; 2.86988
90; 90; 90
59.878Wilson, 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 CIFO2 V0.896 W0.104P 14.5719; 4.5719; 2.87401
90; 90; 90
60.073Wilson, 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 CIFO2 V0.85 W0.15P 14.57297; 4.57297; 2.87908
90; 90; 90
60.207Wilson, 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
3000410 On hold until 2023-02-07C358 H2968 N180 O1088P 134.35; 34.35; 34.35
90; 90; 90
40530.3Wenbo Lv
To be published in MOLECULES
3000411 On hold until 2023-02-07C358 H2968 N180 O1152P 134.35; 34.35; 34.35
90; 90; 90
40530.3Wenbo Lv
To be published in MOLECULES
3000412 On hold until 2023-02-07C358 H2840 N180 O1152P 134.35; 34.35; 34.35
90; 90; 90
40530.3Wenbo Lv
To be published in MOLECULES
3000458 CIFC8 H5 Al Mg2 O6P 15.0348; 5.0348; 39.130699
90; 90; 120
859.039Gianfranco Ulian; Giovanni Valdrè
Facile band gap tuning in graphene brucite heterojunctions
Scientific Reports, 2023, 13, 23090
3000459 CIFC8 H5 Al Mg2 O6P 15.0346; 5.0346; 39.133801
90; 90; 120
859.038Gianfranco Ulian; Giovanni Valdrè
Facile band gap tuning in graphene brucite heterojunctions
Scientific Reports, 2023, 13, 23090
3000460 CIFC8 H5 Al Mg2 O6P 15.03492; 5.03492; 39.128799
90; 90; 120
859.038Gianfranco Ulian; Giovanni Valdrè
Facile band gap tuning in graphene brucite heterojunctions
Scientific Reports, 2023, 13, 23090
3000461 CIFC8 H5 Al Mg2 O6P 15.02417; 5.02417; 39.2957
90; 90; 120
859.022Gianfranco Ulian; Giovanni Valdrè
Facile band gap tuning in graphene brucite heterojunctions
Scientific Reports, 2023, 13, 23090
3000462 CIFC8 H5 Al Mg2 O6P 15.03172; 5.03172; 39.178001
90; 90; 120
859.025Gianfranco Ulian; Giovanni Valdrè
Facile band gap tuning in graphene brucite heterojunctions
Scientific Reports, 2023, 13, 23090
3000463 CIFC8 H5 Al Mg2 O6P 15.03194; 5.03194; 39.171398
90; 90; 120
858.955Gianfranco Ulian; Giovanni Valdrè
Facile band gap tuning in graphene brucite heterojunctions
Scientific Reports, 2023, 13, 23090
3000510 On hold until 2024-11-17Ca H18 Li2P 13.1780245546; 3.3129682368; 6.6924093442
93.413; 92.6742; 118.001
61.881Morgan Redington
To be published in Chemistry of Materials
3000511 On hold until 2024-11-17Ca H19 Li2P 14.3150742623; 5.3890398642; 5.6313982288
104.601; 92.4238; 91.0214
126.556Morgan Redington
To be published in Chemistry of Materials
3000522 On hold until 2024-11-17Ca H19 Li2P 13.960402026; 5.0028828882; 5.1492912723
75.2483; 89.877; 88.8351
98.641Morgan Redington
To be published in Chemistry of Materials
3000526 On hold until 2024-11-17Ca H13 Li2P 13.2011889273; 3.9298681526; 5.9369852475
85.4133; 74.7995; 71.0441
68.166Morgan Redington
To be published in Chemistry of Materials
3000527 On hold until 2024-11-17Ca H14 Li2P 13.3322711007; 4.7121240929; 4.7300852396
89.9755; 71.0847; 89.3737
70.257Morgan Redington
To be published in Chemistry of Materials
3000528 On hold until 2024-11-17Ca H15 Li2P 14.652368748; 4.6765226714; 4.6796281591
90.7336; 119.439; 119.456
72.729Morgan Redington
To be published in Chemistry of Materials
3000587 On hold until 2025-08-13F2 O8 P2 Ti2P 112.7982; 6.3937; 10.5853
90; 90; 90
866.172Chunliu XU
To be published
3000610 On hold until 2026-01-25Cl6 Cs2 Cu SbP 17.43151974; 7.43151974; 7.43151974
60; 60; 60
290.214Sarang Srikanth
To be published
4000133 CIFC19 H13 N OP 18.6891; 9.1609; 9.3638
68.97; 79.005; 75.622
669.65Field, Jason E.; Venkataraman, D.
HeterotriangulenesStructure and Properties
Chemistry of Materials, 2002, 14, 962-964
4000343 CIFC2 H14 Mn2 N2 O10 P2P 14.9097; 5.7619; 9.8317
78.114; 87.748; 85.626
271.3Chemistry of Materials, 2003
4000683 CIFH8 K2 O12.2 Te4P 17.5046; 10.7097; 10.7159
60.849; 69.918; 85.968
701.49Ok, Kang Min; Halasyamani, P. Shiv
New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O
Chemistry of Materials, 2001, 13, 4278-4284
4000767 CIFB5 F O11 Tl UP 16.4163; 6.4663; 7.1357
103.275; 92.053; 119.58
246.67Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.
Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates
Chemistry of Materials, 2011, 23, 2931
4000955 CIFC62 H76 N2 P4 Pt2 S7P 114.1061; 15.1571; 15.5414
97.079; 96.718; 90.344
3274.2Zhao, Xiaoyong; Piliego, Claudia; Kim, BongSoo; Poulsen, Daniel A.; Ma, Biwu; Unruh, David A.; Fréchet, Jean M. J.
Solution-Processable Crystalline Platinum-Acetylide Oligomers with Broadband Absorption for Photovoltaic Cells
Chemistry of Materials, 2010, 22, 2325
4000963 CIFB11 O25 Tl2 U2P 16.4488; 7.1595; 11.0929
94.83; 90.01; 97.13
506.37Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.
Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials
Chemistry of Materials, 2010, 22, 2155
4000997 CIFC45 H40 Cl8 Co2 O10 S20P 18.351; 14.372; 15.421
112.353; 100.095; 96.184
1654.1Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya
Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF
Chemistry of Materials, 2009, 21, 1085
4000998 CIFC45 H40 Cl8 Mn2 O10 S20P 18.383; 14.457; 15.359
111.965; 99.799; 96.161
1671.1Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya
Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF
Chemistry of Materials, 2009, 21, 1085
4001412 CIFC42 H69 Co2 N11 O30 S2P 17.7782; 10.31; 18.272
99.69; 94.23; 90.1
1440.3Wang, Xin-Yi; Sevov, Slavi C.
Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex
Chemistry of Materials, 2007, 19, 4906
4001800 CIFC288 H192 Cu48 I108.75 O240P 125.9981; 26.2767; 26.5511
90; 90; 90
18138.2Sava, Dorina F.; Chapman, Karena W.; Rodriguez, Mark A.; Greathouse, Jeffery A.; Crozier, Paul S.; Zhao, Haiyan; Chupas, Peter J.; Nenoff, Tina M.
Competitive I2Sorption by Cu-BTC from Humid Gas Streams
Chemistry of Materials, 2013, 25, 2591
4001876 CIFC49 H111 Cl2 O16 Si4 YbP 113.7858; 14.6169; 17.5171
97.9411; 91.888; 99.4943
3442.4Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.
Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers
Chemistry of Materials, 2014, 26, 1062
4001982 CIFF2 Fe2 Li4 O8 P2P 15.45338; 7.51205; 5.33977
108.606; 95.8897; 107.392
193.039Mueller, Tim; Hautier, Geoffroy; Jain, Anubhav; Ceder, Gerbrand
Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing
Chemistry of Materials, 2011, 23, 3854
4002057 CIFC50 H44 Co2 Cu N14 O22P 18.5422; 9.9173; 16.6816
88.534; 77.551; 84.358
1373.27Stankiewicz, Jolanta; Tomás, Milagros; Dobrinovitch, Isabel T.; Forcén-Vázquez, Elena; Falvello, Larry R.
Proton Conduction in a Nonporous One Dimensional Coordination Polymer
Chemistry of Materials, 2014, 26, 5282
4002409 CIFBi0.5P 14.3; 8.587; 10.518
113.11; 100.5; 90.36
349.919Li, L.; Li, G.; Wang, Y.; Lin, J.; Liao, F.
Bismuth borates: One-dimensional borate chains and nonlinear optical properties
Chemistry of Materials (1,1989-), 2005, 17, 4174-4180
4002410 CIFBiP 16.6257; 6.6238; 6.6541
89.998; 89.982; 119.332
254.591Li, L.; Liao, F.; Li, G.; Wang, Y.; Lin, J.
Bismuth borates: One-dimensional borate chains and nonlinear optical properties
Chemistry of Materials (1,1989-), 2005, 17, 4174-4180
4002418 CIFAl2 O3P 13.4009; 2.7895; 7.0762
90; 90; 90
67.131Paglia, G.; Bozin, E.S.; Billinge, S.J.L.
Fine-scale nanostructure in gamma - Al2 O3
Chemistry of Materials (1,1989-), 2007, 18, 3242-3248
4002452 CIF
HKL
Ba3 N8 O8 Si8 SrP 14.79674; 5.47004; 14.2965
89.867; 89.885; 90
375.11Guogang Li; Chun Che Lin; Wei-Ting Chen; Maxim S. Molokeev; Victor V. Atuchin; Chang-Yang Chiang; Wuzong Zhou; Chin-Wei Wang; Wen-Hsien Li; Hwo-Shuenn Sheu; Ting-Shan Chan; ChongGeng Ma; Ru-Shi Liu
Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms
Chemistry of Materials, 2014, 26, 2991
4002721 CIFC8 H20 Mn2 N4 O12P 18.198; 8.2; 8.933
63.28; 63.31; 60.06
444.8Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks
Chemistry of Materials, 2017, 29, 2264
4003426 CIFC2 N O17 P4 Ti2P 15.1126; 6.3189; 12.0396
100.931; 97.211; 90.683
378.62Mafra, Luís; Rocha, João; Fernandez, Christian; Castro, Germán R.; García-Granda, Santiago; Espina, Aranzazu; Khainakov, Sergei A.; García, José R.
Characterization of Layered γ-Titanium Phosphate (C2H5NH3)[Ti(H1.5PO4)(PO4)]2·H2O Intercalate: A Combined NMR, Synchrotron XRD, and DFT Calculations Study
Chemistry of Materials, 2008, 20, 3944
4003563 CIFC19 H9 N5 OP 16.7349; 7.8881; 7.8913
106.69; 100.39; 100.56
382.49Liu, Kun; Lei, Yilong; Fu, Hongbing
A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures
Chemistry of Materials, 2020
4003566 CIFC23 H12 N4P 17.1834; 7.7893; 7.9495
73.81; 83.7; 88.39
424.58Liu, Kun; Lei, Yilong; Fu, Hongbing
A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures
Chemistry of Materials, 2020
4003568 CIFC22 H10 N4 SP 17.158; 7.8056; 7.9356
72.93; 85.74; 88.93
422.68Liu, Kun; Lei, Yilong; Fu, Hongbing
A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures
Chemistry of Materials, 2020

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