Crystallography Open Database

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1100220 CIFC11 H12 Cl N O2I b a 211.0478; 28.024; 7.2693
90; 90; 90		2250.6Bach, Thorsten; Schlummer, Björn; Harms, Klaus
Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones
Chemistry - A European Journal, 2001, 7, 2581-2594
1100406 CIFC6 H18 Cl I N P SiI b a 215.107; 18.628; 9.889
90; 90; 90		2782.9Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.
Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1995, 621, 1489-1495
1502697 CIFC24 H18 N6 SI b a 220.712; 24.812; 7.977
90; 90; 90		4099Chen, Songhua; Li, Yongjun; Yang, Wenlong; Chen, Nan; Liu, Huibiao; Li, Yuliang
Synthesis and Tuning Optical Nonlinear Properties of Molecular Crystals of Benzothiadiazole
The Journal of Physical Chemistry C, 2010, 114, 15109
1504391 CIFC36 H30I b a 210.608; 32.541; 7.6837
90; 90; 90		2652.4Xie, Zengqi; Xie, Weijie; Li, Feng; Liu, Linlin; Wang, Huan; Ma, Yuguang
Controlling Supramolecular Microstructure to Realize Highly Efficient Nondoped Deep Blue Organic Light-Emitting Devices: The Role of Diphenyl Substituents in Distyrylbenzene Derivatives
Journal of Physical Chemistry C, 2008, 112, 9066
1511541 CIFB5 Cu O10 TbI b a 26.294; 8.406; 12.733
90; 90; 90		673.669Schaefer, J.; Bluhm, K.
Cu Tb (B5 O10): Das erste "Metaborat" mit einem 1-infinite (B5 O10)5- - Anion
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1995, 621, 567-570
1515126 CIFC19 H21 N3 O4I b a 217.443; 21.703; 9.844
90; 90; 90		3726.6Leibfarth, Frank A.; Wolffs, Martin; Campos, Luis M.; Delany, Kris; Treat, Nicolas; Kade, Matthew J.; Moon, Bongjin; Hawker, Craig J.
Low-temperature ketene formation in materials chemistry through molecular engineering
Chemical Science, 2012, 3, 766
1515946 CIFC46 H27 N O4I b a 212.7723; 16.8766; 14.4195
90; 90; 90		3108.17Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu
Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule
Faraday Discussions, 2009, 143, 205
1516064 CIFC15 H19 N OI b a 210.9646; 34.3413; 6.972
90; 90; 90		2625.23Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros
An efficient synthesis of bridged heterocycles from an Ir(I) bis-amination/ring-closing metathesis sequence.
Organic letters, 2012, 14, 4802-4805
1519345 CIFC14 H13 N OI b a 29.2463; 33.461; 7.2285
90; 90; 90		2236.4Donnio, B; Nguuyen, H. L.; Huck, D. M.; Hursthouse, Michael B.; Coles, Simon J.; Bruce, D. W.
4-Methoxy-2aE-stilbazole
Crystal Structure Report Archive, 2001, 134
1519527 CIFC31 H60 F12 Fe2 N18 O16 S4I b a 224.119; 21.7004; 21.815
90; 90; 90		11417.8Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.
C31H60F12Fe2N18O16S4
Crystal Structure Report Archive, 2003, 987
1520312 CIFC10 H16 B F2 N O4I b a 212.1721; 49.556; 8.341
90; 90; 90		5031.3Roßbach, Jan; Harms, Klaus; Koert, Ulrich
α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements.
Organic letters, 2015, 17, 3122-3125
1520553 CIFC35 H19 F4 N6 O2 PI b a 221.689; 29.869; 10.7143
90; 90; 90		6941Saltsman, Irena; Goldberg, Israel; Gross, Zeev
Porphyrins and Corroles with 2,6-Pyrimidyl Substituents.
Organic letters, 2015, 17, 3214-3217
1525827 CIFO8 V3 ZnI b a 214.298; 9.908; 8.43
90; 90; 90		1194.23Lloyd, D.J.; Galy, J.
Alpha zinc vanadium(IV) divanadate(V), alpha-Zn V3 O8
Crystal Structure Communications, 1973, 2, 209-211
1528891 CIFC4 H6 O4 SnI b a 213.9859; 21.187; 4.54
90; 90; 90		1345.29Stafeeva, V.S.; Mitiaev, A.S.; Abakumov, A.M.; Antipov, E.V.; Makarevich, A.M.; Tsirlin, A.A.
Crystal structure and chemical bonding in tin(II) acetate
Polyhedron, 2007, 26, 5365-5369
1531013 CIFFe6 O13 Sr4I b a 211.103; 18.924; 5.572
90; 90; 90		1170.75Yoshiasa, A.; Ueno, K.; Horiuchi, H.; Kanamaru, F.
Structure of Sr4 Fe6 O13, a new perovskite-derivative in the Sr-Fe-O system
Materials Research Bulletin, 1986, 21, 175-181
1543406 CIFC17 H17 NI b a 215.4841; 20.8131; 7.9546
90; 90; 90		2563.5Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy
Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation.
Organic letters, 2016, 18, 3002-3005
1543636 CIFC54 H30 F6I b a 221.8211; 19.2793; 19.7602
90; 90; 90		8313Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.
Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s
Chem. Sci., 2016, 7, 6357
1544500 CIFGa2 Mn Sb4I b a 211.807; 5.958; 5.858
90; 90; 90		412.1Sakakibara, W.; Hayashi, Y.; Takizawa, H.
MnGa2Sb2, a new ferromagnetic compound synthesized under high pressure
Journal of the Ceramic Society of Japan, 2009, 117, 72-75
1544664 CIFBa4 In6 O13I b a 211.46; 20.95; 5.944
90; 90; 90		1427Yoshiasa, A.; Takeno, S.; Iishi, K.
Ba4In6O13: a compound with distorted square pyramidal InO5 coordination polyhedra
Mineralogical Journal, 1992, 16, 40-48
1547229 CIFC23 H18 F N OI b a 217.5173; 11.7477; 17.1922
90; 90; 90		3537.9Hu, Yue; Huang, Hanmin
Highly Selective Construction of Medium-Sized Lactams by Palladium-Catalyzed Intramolecular Hydroaminocarbonylation of Aminoalkynes.
Organic letters, 2017, 19, 5070-5073
1547645 CIFC6 H7 B O2I b a 215.322; 17.902; 9.8089
90; 90; 90		2690.5Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen
Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications
Chem. Sci., 2017
1548450 CIFC18 H19 N O4I b a 213.146; 29.598; 8.1392
90; 90; 90		3166.9Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel
Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones
Monatshefte Fur Chemie, 2016, 147, 1747-1757
1550776 CIFC25 H18 Cl N O3I b a 27.2897; 23.0144; 25.5674
90; 90; 90		4289.4Ding, Chunyong; Chen, Hongjin; Liang, Bing; Jiao, Mingkun; Liang, Guang; Zhang, Ao
Biomimetic Synthesis of Natural Product Salviadione and Its Hybrids: Discovery of Tissue-Specific Anti-Inflammatory Agents for Acute Lung Injury
Chemical Science, 2019
1550811 CIFC19 H12 N2I b a 214.753; 24.611; 8.0508
90; 90; 90		2923.1Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei
Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering
Materials Horizons, 2019, 6, 1259
1552318 CIF
HKL
Paper		C6 H10 Cd O6I b a 210.238; 19.104; 9.463
90; 90; 90		1850.8Chen, Ao-Wei; Shi, Rong; Wang, Ce; Shi, Bi-Bo; Yin, Zheng
Poly[di(μ~2~-2-hydroxypropanoato)cadmium]
IUCrData, 2019, 4, x191255
1554483 CIFC16 H9 Cl F3 N O3 SI b a 215.569; 29.973; 7.0564
90; 90; 90		3292.9Yi, Ruxia; Li, Xincheng; Wan, Boshun
Ring-opening and cyclization of aziridines with aryl azides: metal-free synthesis of 6-(triflyloxy)quinolines
Organic Chemistry Frontiers, 2018, 5, 3488
1559638 CIFC26 H25 N3 O2I b a 218.50216; 21.27952; 10.92519
90; 90; 90		4301.43Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme
Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.
Chemical science, 2020, 12, 1479-1485
1562679 CIFC9 H6 Cl2 I N3 SI b a 229.5021; 9.0794; 9.482
90; 90; 90		2539.86Hess, Andreas; Prohaska, Jan Philip; Doerrich, Sabrina Bettina; Trauner, Florian; Lutter, Ferdinand Hermann; Lemaire, Sébastien; Wagschal, Simon; Karaghiosoff, Konstantin; Knochel, Paul
Directed Regioselective ortho,ortho’-Magnesiations of Aromatics and Heterocycles using sBu2Mg in Toluene
Chemical Science, 2021
1563088 CIFC12 H16 Eu2 O20I b a 212.5257; 14.2085; 10.5397
90; 90; 90		1875.77Jiang, Zhan-Guo; Lv, Yao-Kang; Cheng, Jian-Wen; Feng, Yun-Long
Two types of rare earth‒organic frameworks constructed by racemic tartaric acid
Journal of Solid State Chemistry, 2012, 185, 253-263
1563089 CIFC12 H16 Dy2 O20I b a 212.4764; 14.1541; 10.4935
90; 90; 90		1853.07Jiang, Zhan-Guo; Lv, Yao-Kang; Cheng, Jian-Wen; Feng, Yun-Long
Two types of rare earth‒organic frameworks constructed by racemic tartaric acid
Journal of Solid State Chemistry, 2012, 185, 253-263
1563659 CIFC200 H120 N24 O92 Zn16I b a 230.682; 10.929; 16.594
90; 90; 90		5564.4Xu, Yan-Hong; Lan, Ya-Qian; Shao, Kui-Zhan; Su, Zhong-Min; Liao, Yi
Auxiliary aromatic-acid effect on the structures of a series of ZnII coordination polymers: Syntheses, crystal structures, and photoluminescence properties
Journal of Solid State Chemistry, 2010, 183, 849-857
1565812 CIFC32 H37 Mo12 N12 O43 P Zn4I b a 227.179; 29.115; 19.281
90; 90; 90		15257Han, Ye-Min; Cheng, Wei-Wei; Cao, Jia-Peng; Yang, Mu-Xiu; Hong, Ya-Lin; Kang, Run-Kun; Xu, Yan
Two isolated Zn-ε-Keggin decorated by pyridine-imidazole with excellent electrocatalytic and third-order NLO properties
Inorganica Chimica Acta, 2019, 498, 119169
1565818 CIFC16 H24 B F4 NI b a 226.2135; 48.489; 7.7284
90; 90; 90		9823.3Liu, Ming-Shang; Du, Hai-Wu; Shu, Wei
Metal-free allylic C–H nitrogenation, oxygenation, and carbonation of alkenes by thianthrenation
Chemical Science, 2022, 13, 1003-1008
1567279 CIFC42 H62 O12I b a 248.93; 8.2077; 10.3345
90; 90; 90		4150.4Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide
Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones
Chemical Science, 2022
2000299 CIF
Paper		C10 H12 Ni S8I b a 213.058; 16.153; 7.585
90; 90; 90		1599.9Geiser, U.; Tytko, S. F.; Allen, T. J.; Wang, H. H.; Kini, A. M.; Williams, J. M.
Structure of bis(2,3-dimercapto-6,7-dihydro-5<i>H</i>-1,4-dithiepin)nickel(IV) at 295 and 109 K
Acta Crystallographica Section C, 1991, 47, 1164-1167
2000300 CIF
Paper		C10 H12 Ni S8I b a 213.027; 16.042; 7.486
90; 90; 90		1564.4Geiser, U.; Tytko, S. F.; Allen, T. J.; Wang, H. H.; Kini, A. M.; Williams, J. M.
Structure of bis(2,3-dimercapto-6,7-dihydro-5<i>H</i>-1,4-dithiepin)nickel(IV) at 295 and 109 K
Acta Crystallographica Section C, 1991, 47, 1164-1167
2001651 CIF
Paper		C20 H14 O2I b a 215.696; 21.617; 8.6253
90; 90; 90		2926.6Mori, K.; Masuda, Y.; Kashino, S.
(+)-(<i>R</i>)- and racemic forms of 2,2'-dihydroxy-1,1'-binaphthyl
Acta Crystallographica Section C, 1993, 49, 1224-1227
2003623 CIF
Paper		C23 H20 O2I b a 225.5347; 17.3004; 7.6486
90; 90; 90		3378.8Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.
A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid
Acta Crystallographica Section C, 1995, 51, 1447-1452
2008252 CIF
Paper		C8 H20 N6 Ni S2I b a 27.579; 17.55; 11.111
90; 90; 90		1477.9Moore, Stephanie L.; Philip J. Squattrito
Bis(1,3-propanediamine-<i>N</i>,<i>N</i>')bis(thiocyanato-<i>N</i>)nickel(II)
Acta Crystallographica Section C, 1999, 55, 332-334
2008837 CIF
HKL
Paper		C17 H18 O S2I b a 219.1266; 8.2451; 10.0462
90; 90; 90		1584.3Crundwell, Guy; Kessler, Jacqueline; Kaller, Matt; McCoy, Mike; Bayne, Christopher; Hardinger, Steven A.; Kantardjieff, Katherine
<i>dl</i>-2,4-Bis(phenylthio)pentan-3-one and <i>dl</i>-2,4-bis(2,6-dimethylphenylthio)pentan-3-one at 173K
Acta Crystallographica Section C, 1999, 55, IUC9900088
2013758 CIF
HKL
Paper		C34 H26 Cd F4 N8I b a 29.835; 19.229; 16.75
90; 90; 90		3167.7Hörner, Manfredo; Carratu, Vanessa S.; Bordinhao, Jairo; Silva, Angela; Niquet, Elke
<i>cis</i>-Bis[1,3-bis(2-fluorophenyl)triazenido-κ^2^<i>N</i>^1^,<i>N</i>^3^]bis(pyridine-κ<i>N</i>)cadmium(II)
Acta Crystallographica Section C, 2004, 60, m140-m142
2019105 CIF
HKL
Paper		C16 H20 N4 O4I b a 210.0424; 42.9871; 7.493
90; 90; 90		3234.68Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.
N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts
Acta Crystallographica Section C, 2013, 69, 904-909
2019593 CIF
HKL
Paper		C6 H10 Br N3 O3I b a 214.352; 20.086; 6.4851
90; 90; 90		1869.5Geiger, David K.; Parsons, Dylan E.
Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts
Acta Crystallographica Section C, 2014, 70, 681-688
2022238 CIF
HKL
Paper		C14 H12 F3 N3 O5 SI b a 217.6719; 25.7296; 6.8887
90; 90; 90		3132.2Eckhardt, Tamira; Goddard, Richard; Lehmann, Christoph; Richter, Adrian; Sahile, Henok Asfaw; Liu, Rui; Tiwari, Rohit; Oliver, Allen G.; Miller, Marvin J.; Seidel, Rüdiger W.; Imming, Peter
Crystallographic evidence for unintended benzisothiazolinone 1-oxide formation from benzothiazinones through oxidation
Acta Crystallographica Section C, 2020, 76
2022912 CIF
HKL
Paper		C10 H24 Au Cl5 N2I b a 219.4014; 9.7612; 19.1922
90; 90; 90		3634.6Döring, Cindy; Jones, Peter G.
Crystal structures of five halido gold complexes involving piperidine or pyrrolidine as ligands or (protonated) as cations.
Acta crystallographica. Section E, Crystallographic communications, 2023, 79, 1017-1027
2101415 CIF
Paper		C14 H11 N O2I b a 28.469; 15.783; 9.003
90; 90; 90		1203.4Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.
Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups
Acta Crystallographica Section B, 1995, 51, 1004-1015
2102198 CIF
Paper		C35 H66 O6I b a 257.368; 22.783; 5.6945
90; 90; 90		7442.8Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk
Structure of C~<i>n~</i>C~<i>n~+2</i>C~<i>n~</i>-type (<i>n</i> = even) β'-triacylglycerols
Acta Crystallographica Section B, 2000, 56, 1103-1111
2102199 CIF
Paper		C47 H90 O6I b a 276.21; 22.63; 5.673
90; 90; 90		9784Van Langevelde, Arjen; Van Malssen, Kees; Driessen, René; Goubitz, Kees; Hollander, Frank; Peschar, René; Zwart, Peter; Schenk, Henk
Structure of C~<i>n~</i>C~<i>n~+2</i>C~<i>n~</i>-type (<i>n</i> = even) β'-triacylglycerols
Acta Crystallographica Section B, 2000, 56, 1103-1111
2202643 CIF
HKL
Paper		C13 H11 N3 SI b a 220.144; 9.774; 11.586
90; 90; 90		2281.1Chen,Zhen-Feng; Tang,Yun-Zhi; Shi,Shao-Ming; Wang, Xian-Wen; Liang, Hong; Yu, Kai-Bei
<i>N,N</i>-(2-benzothiazole)(2-pyridylmethyl)amine
Acta Crystallographica Section E, 2003, 59, o1461-o1463
2202985 CIF
HKL
Paper		C24 H16 Co N11 O3I b a 215.4858; 9.7359; 14.7769
90; 90; 90		2227.89Zhao, Qihua; Wang, Xiaofeng; Fang, Ruibin; Tiekink, Edward R. T.
Diazidobis(1,10-phenathroline)cobalt(III) nitrate
Acta Crystallographica Section E, 2003, 59, m690-m691

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