Crystallography Open Database

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7046618 CIFC58 H80 Cl2 N2 O4 TiA 1 2 117.2312; 12.162; 27.103
90; 101.229; 90
5571.1Miller-Shakesby, David M; Nigam, Shubhanchi; Hughes, David L.; Lopez-Estelles, Enrique; Elsegood, Mark R. J.; Cawthorne, Christopher J.; Archibald, Stephen J.; Redshaw, Carl
Synthesis, crystal structure, and cytotoxicity studies of titanacalix[4 and 8]arene complexes.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 8992-8999
1556836 CIFC0.58 Na0.02 O4.53 Si2.27A 1 2/n 123.7844; 13.732; 23.784
90; 109.47; 90
7324Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald
The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.
IUCrJ, 2018, 5, 595-607
1556838 CIFC0.58 Na0.02 O4.53 Si2.27A 1 2/n 123.834; 13.76; 23.833
90; 109.47; 90
7369Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald
The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.
IUCrJ, 2018, 5, 595-607
1556840 CIFC0.58 Na0.02 O4.53 Si2.27A 1 2/n 123.834; 13.76; 23.833
90; 109.47; 90
7369Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald
The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.
IUCrJ, 2018, 5, 595-607
1556842 CIFC0.58 Na0.02 O4.53 Si2.27A 1 2/n 123.7054; 13.6861; 23.7051
90; 109.47; 90
7251Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald
The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.
IUCrJ, 2018, 5, 595-607
1563936 CIFC32 H22 N4 O4 ZnA e a 215.9969; 21.6823; 7.5937
90; 90; 90
2633.9Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph
Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands
Inorganica Chimica Acta, 2018, 482, 275-283
1563988 CIFC40 H30 Cd N2 O4A e a 210.9938; 25.635; 11.8497
90; 90; 90
3339.6Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek
Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies
Inorganica Chimica Acta, 2018, 482, 717-725
4131953 CIFC24 H26 N2 O7A e a 213.6713; 37.374; 8.2094
90; 90; 90
4194.6Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131995 CIFC12 H7 F3 N2A e a 214.047; 14.609; 10.026
90; 90; 90
2057.5Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji
Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal.
Journal of the American Chemical Society, 2018, 140, 3842-3845
7047118 CIFC44 H84 Cl6 N2 P4 Zr2A e a 214.8731; 14.7823; 25.3833
90; 90; 90
5580.7Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki
Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 11322-11326
7047948 CIFB4 H20 N2 SrA e a 28.59299; 13.68873; 8.50066
90; 90; 90
999.91Jørgensen, Mathias; Lee, Young-Su; Bjerring, Morten; Jepsen, Lars H.; Akbey, Ümit; Cho, Young Whan; Jensen, Torben R.
Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 16737-16746
7059126 CIFC23 H23 N3 O3A e a 225.339; 10.4719; 15.6589
90; 90; 90
4155Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo
Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities
New Journal of Chemistry, 2018, 42, 16211
7125353 CIFC24 H20 S4A e a 210.8663; 8.5571; 22.5617
90; 90; 90
2097.88Phan, Ngoc-Minh; Zakharov, Lev N.; Johnson, Darren W.
Copper(ii) serves as an efficient additive for metal-directed self-assembly of over 20 thiacyclophanes.
Chemical communications (Cambridge, England), 2018, 54, 13419-13422
7237091 CIFC21 H21 O3 PA e a 232.26; 16.224; 7.12
90; 90; 90
3727Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao
Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols
Green Chemistry, 2018, 20, 5111
7237099 CIFC26 H22 Cl0 Co N8 O2A e a 212.408; 19.368; 9.808
90; 90; 90
2357Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu
Hydrazone-based cobalt complexes toward multielectron redox and spin crossover
RSC Advances, 2018, 8, 17159
7702175 CIFC4 H14 Br4 Cd Cl2 N2A e a 27.9926; 24.108; 7.956
90; 90; 90
1533Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei
Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).
Dalton transactions (Cambridge, England : 2003), 2018, 47, 7005-7012
7702176 CIFC4 H14 Br Cd Cl5 N2A e a 27.6707; 24.6215; 7.5742
90; 90; 90
1430.5Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei
Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).
Dalton transactions (Cambridge, England : 2003), 2018, 47, 7005-7012
7702177 CIFC4 H14 Br Cd Cl5 N2A e a 27.649; 24.42; 7.579
90; 90; 90
1416Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei
Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).
Dalton transactions (Cambridge, England : 2003), 2018, 47, 7005-7012
7702182 CIFC20 H20 Mn N2A e a 27.8832; 17.663; 12.5197
90; 90; 90
1743.3Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.
Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 5171-5180
7702208 CIFC78 H86 Cl4 N12 O Zn2A e a 216.956; 19.724; 23.052
90; 90; 90
7710Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter
Dinuclear tethered pyridine, diimine complexes.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 12105-12117
7702228 CIFC67 H74 Cl2 O4 P4 Ru2 S8A e a 220.1261; 21.5909; 16.4408
90; 90; 90
7144.2Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel
Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 13926-13938
8106176 CIFC21 H15 N O2A e a 222.149; 13.2899; 10.6679
90; 90; 90
3140.2Huang, Xiang; Shi, Da-Bin
Crystal structure of methyl 10-(pyridin-4-yl)-anthracene-9-carboxylate, C21H15NO2
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 441-443
8106185 CIFC24 H22 N8 Ni O4 S2A e a 211.845; 21.937; 9.907
90; 90; 90
2574Wu, Hao; Wu, Wei-Na
Crystal structure of bis(1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O)nickel(II), C24H22N8O4S2Ni
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 465-466
8106186 CIFC24 H22 Cu N8 O4 S2A e a 211.9395; 21.813; 10.1184
90; 90; 90
2635.2Wang, Wan-Wan; Wu, Wei-Na; Wang, Yuan
Crystal Structure of bis(1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O)copper(II), C24H22N8O4S2Cu
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 467-468
8106254 CIFC24 H20 Cu N10 O2A e a 212.2281; 19.176; 9.8689
90; 90; 90
2314.1Li, Qingqing; Jiao, Kaichuang; Xu, Zhouqing
Crystal structure of bis(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3 N,N′,O)copper(II) C24H20N10O2Cu
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 669-670
8106398 CIFC16 H14 O5A e a 27.4156; 31.415; 5.9451
90; 90; 90
1384.98Maxweel, Lindley; Cárdenas, Alejandro; Brito, Iván
Crystal structure of dimethyl 4,4′-oxydibenzoate, C16H14O5
Zeitschrift für Kristallographie - New Crystal Structures, 2018, 233, 1059-1060
2021674 CIF
HKL
Paper
C23 H14 Br2 OA e m 27.098; 42.72; 6.135
90; 90; 90
1860.3Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina
Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments
Acta Crystallographica, Section C, 2018, 74, 1674-1683
1549636 CIFC18 H22 B10 NA m a 27.224; 24.584; 11.2382
90; 90; 90
1995.85Lyu, Hairong; Quan, Yangjian; Xie, Zuowei
Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.
Chemical science, 2018, 9, 6390-6394
4132051 CIFC H5 I3 N2 Pb0.96A m m 26.3652; 9.002; 9.0065
90; 90; 90
516.1Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.
Unraveling the Chemical Nature of the 3D "Hollow" Hybrid Halide Perovskites.
Journal of the American Chemical Society, 2018, 140, 5728-5742
7237100 CIFC23 H27 N2 O4C 121.7483; 9.205; 13.1074
90; 123.852; 90
2179.2Murthy, V. Narayana; Nikumbh, Satish P.; Tadiparthi, Krishnaji; Madhubabu, M. V.; Jammula, Subba Rao; Rao, L. Vaikunta; Raghunadh, Akula
Amberlite-15 promoted an unprecedented aza Michael rearrangement for one pot synthesis of dihydroquinazolinone compounds
RSC Advances, 2018, 8, 22331
1549022 CIFC27 H18 N2 O3 SC 1 2 125.719; 7.5368; 11.759
90; 116.39; 90
2041.8Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha
Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.
Chemical science, 2018, 9, 3592-3606
1549048 CIFC22 H32 N2 O6C 1 2 113.5545; 5.84781; 14.1657
90; 110.071; 90
1054.64Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549059 CIFC42 H46 N4 O16 Sb2C 1 2 122.3684; 8.4156; 15.6852
90; 130.585; 90
2242.36Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1551906 CIFC14 H8 Br2 Fe N4C 1 2 18.2958; 8.2991; 22.299
90; 92.44; 90
1533.8J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado
Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization
Nature Chemistry, 2018, 10, 1001-1007
1552825 CIFC62 H38 Cl4 N2 O4C 1 2 135.279; 12.2498; 12.5944
90; 94.96; 90
5422.4Wang, Zhen; Yan, Sen; Cui, Huang-Chen; Cheng, Guang; Ma, Hui; Zhang, Qing-Mei; Zhang, Qing-Pu; Liu, Jun-Min; Tan, Bien; Zhang, Chun
Porous Organic Polymer from Aggregation-Induced Emission Macrocycle for White-Light Emission
Macromolecules, 2018, 51, 7863
1552829 CIFC53.5 H61 Mg N3 O2 Si2C 1 2 122.132; 11.214; 19.876
90; 98.636; 90
4877Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan
Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control
Macromolecules, 2018, 51, 5304
1552830 CIFC53.5 H61 Mg N3 O2 Si2C 1 2 122.162; 11.233; 19.873
90; 98.551; 90
4892.3Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan
Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control
Macromolecules, 2018, 51, 5304
1552841 CIFC16 H12 O4 S3C 1 2 114.089; 6.7932; 10.3076
90; 124.152; 90
816.4Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang
Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells
Macromolecules, 2018, 52, 341
1552962 CIFC51 H80 O38C 1 2 118.661; 24.3629; 15.4291
90; 110.652; 90
6563.9Suzuki, Nozomu; Kinoshita, Mariko; Miyabe, Kanji
Kinetic Study of Chiral Intermolecular Interactions by Moment Analysis Based on Affinity Capillary Electrophoresis.
Analytical chemistry, 2018, 90, 11048-11053
1553319 CIFC20 H24 O5C 1 2 119.3772; 8.318; 11.812
90; 109.092; 90
1799.13Hu, Hai-Jun; Zhou, Yue; Han, Zhu-Zhen; Shi, Yan-Hong; Zhang, Shu-Sheng; Wang, Zheng-Tao; Yang, Li
Abietane Diterpenoids from the Roots of Clerodendrum trichotomum and Their Nitric Oxide Inhibitory Activities.
Journal of natural products, 2018, 81, 1508-1516
1553334 CIFC13 H13 Cl O5C 1 2 122.066; 9.1694; 6.5996
90; 107.302; 90
1274.89Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang
Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.
Journal of natural products, 2018, 81, 1376-1383
1553343 CIFC17 H24 O10C 1 2 114.2391; 6.4146; 19.8531
90; 95.8796; 90
1803.81Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.
Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.
Journal of natural products, 2018, 81, 1241-1251
1553355 CIFC29.25 H43 O3.25C 1 2 145.884; 7.0425; 15.7032
90; 103.902; 90
4925.7Liu, Fei; Wang, Ya-Nan; Li, Yong; Ma, Shuang-Gang; Qu, Jing; Liu, Yun-Bao; Niu, Chang-Shan; Tang, Zhong-Hai; Li, Yu-Huan; Li, Li; Yu, Shi-Shan
Minor Nortriterpenoids from the Twigs and Leaves of Rhododendron latoucheae.
Journal of natural products, 2018, 81, 1721-1733
1553372 CIFC17 H22 O2C 1 2 129.658; 6.8498; 7.4333
90; 104.45; 90
1462.31Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun
Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.
Journal of natural products, 2018, 81, 1810-1818
1553391 CIFC20 H32 O2C 1 2 136.457; 4.886; 20.2686
90; 105.385; 90
3481Raghavan, Vijay; Johnson, Jordan L.; Stec, Donald F.; Song, Bongkeun; Zajac, Grzegorz; Baranska, Malgorzata; Harris, Constance M.; Schley, Nathan D.; Polavarapu, Prasad L.; Harris, Thomas M.
Absolute Configurations of Naturally Occurring [5]- and [3]-Ladderanoic Acids: Isolation, Chiroptical Spectroscopy, and Crystallography.
Journal of natural products, 2018, 81, 2654-2666
1553392 CIFC20 H30 O2C 1 2 164.164; 4.8171; 10.9786
90; 90.556; 90
3393.2Raghavan, Vijay; Johnson, Jordan L.; Stec, Donald F.; Song, Bongkeun; Zajac, Grzegorz; Baranska, Malgorzata; Harris, Constance M.; Schley, Nathan D.; Polavarapu, Prasad L.; Harris, Thomas M.
Absolute Configurations of Naturally Occurring [5]- and [3]-Ladderanoic Acids: Isolation, Chiroptical Spectroscopy, and Crystallography.
Journal of natural products, 2018, 81, 2654-2666
1553906 CIFC23 H25 N O2C 1 2 117.0278; 8.4534; 14.668
90; 110.034; 90
1983.59Shen, Hong-Qiang; Liu, Cong; Zhou, Ji; Zhou, Yong-Gui
Enantioselective palladium-catalyzed C‒H functionalization of pyrroles using an axially chiral 2,2′-bipyridine ligand
Organic Chemistry Frontiers, 2018, 5, 611
1554109 CIFC48 H38C 1 2 131.8593; 8.0078; 51.818
90; 97.15; 90
13117.2Ivanov, Maxim V.; Shukla, Ruchi; Lindeman, Sergey V.; Wang, Denan; Rathore, Rajendra
Pyrene-Like HOMO Governs Polaron Delocalization in Model Graphitic Strips: A Combined Experimental and Computational Analysis
The Journal of Physical Chemistry C, 2018, 122, 24527
1554291 CIFC11 H14 O2 S2C 1 2 127.4221; 5.1994; 19.0212
90; 121.717; 90
2306.99Liu, Yan; Zeng, Jing; Sun, Jiuchang; Cai, Lei; Zhao, Yueqi; Fang, Jing; Hu, Bo; Shu, Penghua; Meng, Lingkui; Wan, Qian
1,4-Dithiothreitol mediated cleavage of the acetal and ketal type of diol protecting groups
Organic Chemistry Frontiers, 2018, 5, 2427
1554321 CIFC38 H28 N2 O4 SC 1 2 114.8962; 11.3205; 20.153
90; 102.279; 90
3320.7Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming
Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives
Organic Chemistry Frontiers, 2018, 5, 2126
1554336 CIFC20.57 H26.27 Cl N O3.57C 1 2 118.4603; 16.6736; 13.8087
90; 103.239; 90
4137.4Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.
Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines
Organic Chemistry Frontiers, 2018, 5, 2171
1560711 CIFAg4 Ba5 Se12 U2.5C 1 2 14.3496; 13.9735; 10.562
90; 90; 90
641.95Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A.
Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12
Journal of Solid State Chemistry, 2018, 268, 30-35
1560712 CIFAg4 Ba6 Se12 U2C 1 2 14.4084; 13.9459; 10.5601
90; 90; 90
649.23Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A.
Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12
Journal of Solid State Chemistry, 2018, 268, 30-35
1560783 CIFC17 H19 N3 O4 ZnC 1 2 115.537; 10.105; 11.158
90; 99.111; 90
1729.7Contejean, Zaria I.; LaDuca, Robert L.
Nitroaromatic-detecting zinc and cadmium coordination polymers with methyl-substituted aliphatic dicarboxylate and 4,4′-dipyridylamine ligands and diverse topologies
Journal of Solid State Chemistry, 2018, 266, 44-53
1561200 CIFC36 H40 Cu F6 N10 O9C 1 2 115.983; 6.9023; 18.329
90; 106.408; 90
1939.7Zhao, Yan-Ming; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng
Copper-based metal coordination complexes with Voriconazole ligand: Syntheses, structures and antimicrobial properties
Journal of Solid State Chemistry, 2018, 259, 19-27
1563844 CIFC34 H36 Br2 Hg N6 O6 S2C 1 2 113.736; 12.6224; 11.9852
90; 107.038; 90
1986.8Huang, Chao; Yang, Jin; Chen, Jin-Lian; Chen, Dong-Mei; Zhu, Bi-Xue
Synthesis and crystal structures of metallomacrocyclic and helical Hg(II) complexes with two bis(pyridylurea) ligands
Inorganica Chimica Acta, 2018, 483, 252-257
2021096 CIF
HKL
Paper
C52 H119 N20 Na5 O60 P8C 1 2 137.656; 7.031; 21.959
90; 120.9; 90
4989Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.
Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts
Acta Crystallographica Section C, 2018, 74, 571-583
2021097 CIF
HKL
Paper
C52 H105 N20 Na O51 P8C 1 2 139.474; 6.964; 18.656
90; 115.18; 90
4641Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.
Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts
Acta Crystallographica Section C, 2018, 74, 571-583
2021356 CIF
HKL
Paper
C20 H27 Cl O2C 1 2 112.984; 6.2961; 21.265
90; 94.306; 90
1733.5Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher
Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures
Acta Crystallographica Section C, 2018, 74
2242409 CIF
HKL
Paper
C17 H15 N3 O3C 1 2 110.2069; 6.3761; 23.2265
90; 101.454; 90
1481.48Elkin, Igor; Maris, Thierry; Melkoumov, Alexandre; Hildgen, Patrice; Banquy, Xavier; Leclair, Grégoire; Barrett, Christopher
Crystal structure of 2-oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate
Acta Crystallographica Section E, 2018, 74, 458-460
2242410 CIFC32 H53 N3 O2C 1 2 120.113; 10.3898; 15.5934
90; 97.452; 90
3231Santalla, Hugo; Argibay, Saray
Crystal structure of (20<i>S</i>)-21-[4-(2-hydroxypropan-2-yl)-1<i>H</i>-1,2,3-triazol-4-yl]-20-(4-methylpentyl)-5-pregnen-3β-ol with an unknown solvate
Acta Crystallographica Section E, 2018, 74, 465-468
2242473 CIF
HKL
C15 H21 Cl N2 O4C 1 2 116.228; 6.4392; 15.5937
90; 104.289; 90
1579.1Blignaut, Jacques; Lemmerer, Andreas
An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts
Acta Crystallographica Section E, 2018, 74, 580-586
4033330 CIFC15 H18 O3C 1 2 131.5874; 5.4964; 14.967
90; 90.211; 90
2598.51Sherwood, Alexander M.; Williamson, Samuel E.; Johnson, Stephanie N.; Yilmaz, Anil; Day, Victor W.; Prisinzano, Thomas E.
Scalable Regioselective and Stereoselective Synthesis of Functionalized (E)-4-Iodobut-3-en-1-ols: Gram-Scale Total Synthesis of Fungal Decanolides and Derivatives.
The Journal of organic chemistry, 2018, 83, 980-992
4034876 CIFC31 H39 Br Cl2 O7C 1 2 118.622; 14.558; 13.376
90; 124.061; 90
3004.1Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki
Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.
The Journal of organic chemistry, 2018, 83, 13888-13910
4035102 CIFC10 H15 F N2 O7C 1 2 130.0065; 6.5012; 13.4207
90; 108.954; 90
2476.1Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.
Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.
The Journal of organic chemistry, 2018, 83, 9839-9849
4035134 CIFC20 H25 N O3 S2C 1 2 119.982; 7.7011; 13.3717
90; 99.959; 90
2026.68Niu, Sheng-Tong; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao
Diastereoselective α-Sulfenylation of N- tert-Butanesulfinyl Imidates.
The Journal of organic chemistry, 2018, 83, 10580-10588
4035172 CIFC15 H23 N O3C 1 2 122.4524; 6.2502; 10.4159
90; 102.201; 90
1428.67Williams, Benjamin M.; Trauner, Dirk
Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.
The Journal of organic chemistry, 2018, 83, 3061-3068
4035203 CIFC23 H25 Cl N5 O4C 1 2 124.087; 8.8775; 11.5808
90; 107.337; 90
2363.8Singha Roy, Soumya Jyoti; Mukherjee, Santanu
Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.
The Journal of organic chemistry, 2018, 83, 12071-12085
4035228 CIFC25 H30 O6C 1 2 122.3394; 8.2464; 13.8104
90; 98.821; 90
2514.06Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang
Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.
The Journal of organic chemistry, 2018, 83, 11804-11813
4035251 CIFC19 H21 N O4C 1 2 117.6648; 5.6836; 18.7544
90; 115.841; 90
1694.66Jian, Jia-Hong; Hsu, Chih-Lung; Syu, Jin-Fong; Kuo, Ting-Shen; Tsai, Ming-Kang; Wu, Ping-Yu; Wu, Hsyueh-Liang
Access to β<sup>2</sup>-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts.
The Journal of organic chemistry, 2018, 83, 12184-12191
4035280 CIFC22 H22 Br F3 N2 O5C 1 2 128.603; 8.1356; 10.639
90; 107.989; 90
2354.7Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang
Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.
The Journal of organic chemistry, 2018, 83, 11814-11824
4035425 CIFC95 H132 N11 O9 Zn2C 1 2 130.7793; 25.5618; 18.8361
90; 107.606; 90
14125.6Xiong, Qian; Lin, Lili; Zhao, Xiaohu; Lang, Jiawen; Liu, Xiaohua; Feng, Xiaoming
Zinc(II)-Catalyzed Asymmetric Diels-Alder Reaction of ( E)-1-Phenyl Dienes with β,γ-Unsaturated α-Ketoesters.
The Journal of organic chemistry, 2018, 83, 12527-12534
4035468 CIFC60 H82 O6C 1 2 152.9571; 8.5386; 11.2085
90; 90.471; 90
5068.1Mayorquín-Torres, Martha C; Colin-Molina, Abraham; Pérez-Estrada, Salvador; Galano, Annia; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A
Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis.
The Journal of organic chemistry, 2018, 83, 3768-3779
4035469 CIFC60 H82 O6C 1 2 152.9807; 8.7257; 11.2549
90; 91.479; 90
5201.3Mayorquín-Torres, Martha C; Colin-Molina, Abraham; Pérez-Estrada, Salvador; Galano, Annia; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A
Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis.
The Journal of organic chemistry, 2018, 83, 3768-3779
4035485 CIFC82 H76 O3C 1 2 116.589; 9.0335; 20.6981
90; 94.977; 90
3090.1Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko
10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.
The Journal of organic chemistry, 2018, 83, 3857-3863
4035486 CIFC19 H22 O5C 1 2 122.5468; 10.4722; 7.3277
90; 107.751; 90
1647.8Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.
Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.
The Journal of organic chemistry, 2018, 83, 3467-3485
4035554 CIFC17 H19 N O3C 1 2 122.07; 6.411; 11.639
90; 113.74; 90
1507.5Pinto, Alexandre; Piccichè, Miriam; Griera, Rosa; Molins, Elies; Bosch, Joan; Amat, Mercedes
Studies on the Synthesis of Phlegmarine-Type Lycopodium Alkaloids: Enantioselective Synthesis of (-)-Cermizine B, (+)-Serratezomine E, and (+)-Luciduline.
The Journal of organic chemistry, 2018, 83, 8364-8375
4035685 CIFC18 H34 O5 SiC 1 2 132.4209; 8.0512; 16.2619
90; 90.2238; 90
4244.8Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K
Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.
The Journal of organic chemistry, 2018, 83, 14527-14552
4035851 CIFC16 H13 Br N2 O3C 1 2 116.313; 11.6843; 9.3275
90; 122.965; 90
1491.64Vila, Carlos; Rostoll-Berenguer, Jaume; Sánchez-García, Rubén; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R
Enantioselective Synthesis of 2-Amino-1,1-diarylalkanes Bearing a Carbocyclic Ring Substituted Indole through Asymmetric Catalytic Reaction of Hydroxyindoles with Nitroalkenes.
The Journal of organic chemistry, 2018, 83, 6397-6407
4037537 CIFC22 H29 O PC 1 2 129.435; 18.8296; 20.487
90; 132.126; 90
8421.6Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas
Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.
The Journal of organic chemistry, 2018, 83, 15009-15028
4127075 CIFC22 H20 Br Cl F3 N O3C 1 2 122.803; 8.0763; 13.3188
90; 117.96; 90
2166.5Xu, Shan; Zhang, Zhan-Ming; Xu, Bing; Liu, Bing; Liu, Yuanyuan; Zhang, Junliang
Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Cop-per(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions.
Journal of the American Chemical Society, 2018
4131900 CIFC188 H142 Eu4 F36 N12 O35C 1 2 125.7797; 34.9694; 12.4506
90; 101.77; 90
10988.2Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei
Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.
Journal of the American Chemical Society, 2018, 140, 3683-3689
4131901 CIFC184 H128 F36 N12 O36 Yb4C 1 2 133.7188; 32.0387; 22.5439
90; 102.13; 90
23810.6Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei
Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.
Journal of the American Chemical Society, 2018, 140, 3683-3689
4131902 CIFC184 H132 F36 N12 O34 Sm4C 1 2 125.759; 35.1455; 12.463
90; 102.001; 90
11036.3Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei
Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.
Journal of the American Chemical Society, 2018, 140, 3683-3689
4131903 CIFC184 H132 Eu4 F36 N12 O34C 1 2 125.7603; 35.035; 12.4435
90; 101.626; 90
11000Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei
Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.
Journal of the American Chemical Society, 2018, 140, 3683-3689
4131904 CIFC184 H128 F36 N12 O36 Yb4C 1 2 133.9451; 31.7821; 22.4739
90; 102.275; 90
23691.6Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei
Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.
Journal of the American Chemical Society, 2018, 140, 3683-3689
4131905 CIFC187 H112 F36 N12 O44 Y4C 1 2 133.7309; 32.1542; 22.2394
90; 101.685; 90
23620.8Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei
Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.
Journal of the American Chemical Society, 2018, 140, 3683-3689
4131910 CIFC44 H4.6 O44.5 Zr6C 1 2 120.747; 20.747; 14.67
90; 135; 90
4465Albalad, Jorge; Xu, Heng; Gándara, Felipe; Haouas, Mohamed; Martineau-Corcos, Charlotte; Mas-Ballesté, Rubén; Barnett, Sarah A.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel
Single-Crystal-to-Single-Crystal Postsynthetic Modification of a Metal-Organic Framework via Ozonolysis.
Journal of the American Chemical Society, 2018, 140, 2028-2031
4131921 CIFC27 H19 N2 PC 1 2 115.317; 8.924; 16.982
90; 111.376; 90
2161.6Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru
Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore.
Journal of the American Chemical Society, 2018, 140, 2046-2049
4131922 CIFC19 H13 N2 PC 1 2 115.138; 9.219; 28.143
90; 100.742; 90
3859Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru
Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore.
Journal of the American Chemical Society, 2018, 140, 2046-2049
4131948 CIFC49.5 H55 N4 O12.5 S2C 1 2 145.773; 7.9396; 13.4558
90; 97.262; 90
4850.87Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.
Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.
Journal of the American Chemical Society, 2018, 140, 5393-5400
4131957 CIFC170 H142 Cl4 N8 O18.66667C 1 2 147.826; 21.1891; 27.0097
90; 94.628; 90
27282Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin
Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.
Journal of the American Chemical Society, 2018, 140, 2769-2772
4131960 CIFC171.33333 H144.66667 Cl6.66667 N8 O24C 1 2 147.641; 21.1704; 27.0403
90; 94.904; 90
27172Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin
Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.
Journal of the American Chemical Society, 2018, 140, 2769-2772
4132042 CIFC128.45 H146.48 Br4.81 I12 N24 Zn6C 1 2 135.1167; 14.8989; 30.9479
90; 101.33; 90
15876.4Goh, Shermin S.; Champagne, Pier Alexandre; Guduguntla, Sureshbabu; Kikuchi, Takashi; Fujita, Makoto; Houk, K. N.; Feringa, Ben L.
Stereospecific Ring Contraction of Bromocycloheptenes through Dyotropic Rearrangements via Nonclassical Carbocation-Anion Pairs.
Journal of the American Chemical Society, 2018, 140, 4986-4990
4132063 CIFC51 H52 Au Cl5 N2C 1 2 115.8368; 11.3047; 14.2276
90; 114.29; 90
2321.68Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai
Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.
Journal of the American Chemical Society, 2018, 140, 4489-4493
4132100 CIFC26 H23 Br N2C 1 2 122.7031; 5.8682; 16.6098
90; 107.064; 90
2115.4Yin, Yanli; Dai, Yating; Jia, Hongshao; Li, Jiangtao; Bu, Liwei; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong
Conjugate Addition-Enantioselective Protonation of N-Aryl Glycines to α-Branched 2-Vinylazaarenes via Cooperative Photoredox and Asymmetric Catalysis.
Journal of the American Chemical Society, 2018, 140, 6083-6087
4132108 CIFC15 H18 O2 SiC 1 2 119.379; 5.3296; 15.117
90; 111.02; 90
1457.4Cheng, Biao; Liu, Wenbo; Lu, Zhan
Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.
Journal of the American Chemical Society, 2018, 140, 5014-5017
4132160 CIFC19 H23 N O5C 1 2 125.0443; 6.8179; 10.1504
90; 96.3846; 90
1722.43Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk
Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.
Journal of the American Chemical Society, 2018, 140, 8675-8680
4132289 CIFC23 H28 N2 O2 SC 1 2 134.1594; 8.4566; 15.1869
90; 91.752; 90
4385.03Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin
Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.
Journal of the American Chemical Society, 2018, 140, 7587-7597
4132333 CIFC10 H19 Br O2C 1 2 124.997; 5.1956; 18.1896
90; 104.221; 90
2290Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L.
Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents.
Journal of the American Chemical Society, 2018, 140, 7052-7055

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