Crystallography Open Database

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4131513 CIFC8 H32 Cl10 N4 Pb3A 21 m a8.024; 45.498; 8.08
90; 90; 90
2950Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Traore, Boubacar; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Kanatzidis, Mercouri G.
Tunable White-Light Emission in Single-Cation-Templated Three-Layered 2D Perovskites (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>4</sub>Pb<sub>3</sub>Br<sub>10-x</sub>Cl<sub>x</sub>.
Journal of the American Chemical Society, 2017, 139, 11956-11963
4344947 CIFC9 H30 I7 N3 Sn2A e 2 a9.0513; 9.044; 36.226
90; 90; 90
2965.5Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G.
Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites.
Inorganic chemistry, 2017, 56, 56-73
1560680 CIFGa S9 Sb Y4A e a 213.48; 13.79; 13.99
90; 90; 90
2600.6Wang, Yue; Zou, Xiaochuan; Feng, Xia; Shi, Yongfang; Wu, Liming
Quaternary non-centrosymmetric sulfide Y 4 GaSbS 9 : Syntheses, structures, optical properties and theoretical studies
Journal of Solid State Chemistry, 2017, 245, 110-114
2311868 CIFC28 H28 F6 Li N4 PA e a 224.725; 14.7026; 15.8325
90; 90; 90
5755.5Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.
Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.
Acta crystallographica. Section C, Structural chemistry, 2017, 73, 264-269
4131240 CIFC6 H18 Br4 N2 PbA e a 241.685; 23.962; 12
90; 90; 90
11986Mao, Lingling; Wu, Yilei; Stoumpos, Constantinos C.; Wasielewski, Michael R.; Kanatzidis, Mercouri G.
White-Light Emission and Structural Distortion in New Corrugated Two-Dimensional Lead Bromide Perovskites.
Journal of the American Chemical Society, 2017, 139, 5210-5215
4349728 CIFC4 H16 Bi Cl5 N2A e a 217.5405; 21.767; 7.47911
90; 90; 90
2855.55Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech
Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties
Inorganic Chemistry Frontiers, 2017, 4, 1281
4349730 CIFC10 H28 Cd Cl4 N2A e a 27.45; 33.85; 7.42
90; 90; 90
1871Wang, Zhongxia; Lv, Xing-Hui; Liu, Yu-Ling; Lu, Yang; Chen, Hai-Peng; Ge, Jia-Zhen
Prominent dielectric transitions in layered organic‒inorganic hybrids: (isoamyl-ammonium)2CdX4 (X = Cl and Br)
Inorganic Chemistry Frontiers, 2017, 4, 1330
4516741 CIFC20 H32 Co P4A e a 215.7643; 16.3813; 8.9459
90; 90; 90
2310.19Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.
Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis
ACS Catalysis, 2017, 7, 6008
7041693 CIFC69 H74 Cl2 Mn4 N4 O12 S4A e a 238.0525; 11.428; 16.6104
90; 90; 90
7223.3Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel
Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 1779-1788
7041694 CIFC69 H78 Cl2 Mn4 N4 O12 S4A e a 238.3937; 11.4255; 16.4614
90; 90; 90
7221.1Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel
Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 1779-1788
7042123 CIFC26 H32 Br15 Cu11 N4A e a 219.9166; 24.7493; 10.2572
90; 90; 90
5056Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong
Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4209-4217
7042126 CIFC26 H32 Cu11 I15 N4A e a 220.623; 25.633; 10.6807
90; 90; 90
5646.1Lei, Xiao-Wu; Yue, Cheng-Yang; Wang, Sai; Gao, Hui; Wang, Wei; Wang, Ning; Yin, Yun-Dong
Di-pyridyl organic cation directed hybrid cuprous halogenides: syntheses, crystal structures and photochromism and photocatalysis.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 4209-4217
7044484 CIFC29.5 H41 Cl2 F6 Ir N2 O0.5 PA e a 214.0362; 29.3317; 32.4846
90; 90; 90
13374.1Li, Juanjuan; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; zhang, shumiao; Xu, Ke; Qian, Yuchuan; Liu, Zhe
Novel half-sandwich iridium(III) imino-pyridyl complexes showing remarkable in vitro anticancer activity
Dalton Trans., 2017
7056118 CIFC18 H22 Cl2 Cu N8 O3A e a 217.6722; 17.3463; 7.397
90; 90; 90
2267.53Lavrenova, Ludmila G.; Kuz'menko, Tatyana A.; Ivanova, Alina D.; Smolentsev, Anton I.; Komarov, Vladislav; Bogomyakov, Artem Stepanovich; Sheludyakova, Lilia A.; Vorontsova, Elena V.
Synthesis, magnetic and cytotoxic properties of copper(II) halide complexes with 1,2,4-triazolo[1,5-a] benzimidazoles
New J. Chem., 2017
7059110 CIFC32 H40 Cu4 I2 N10A e a 215.1031; 17.648; 13.8061
90; 90; 90
3679.9Jana, Oishi; Mani, Ganesan
New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand
New Journal of Chemistry, 2017, 41, 9361
7059117 CIFC5 H14 N14 O7A e a 221.595; 18.986; 7.676
90; 90; 90
3147.2Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang
Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan
New Journal of Chemistry, 2017, 41, 7697
7120325 CIFC29 H28 N4 O4A e a 211.3361; 48.595; 9.4566
90; 90; 90
5209.4Tian, Xiaohe; Zhu, Yingzhong; Zhang, Qiong; Zhang, Ruilong; Wu, Jieying; Tian, Yupeng
Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via Different Uptake Mechanisms
Chem. Commun., 2017
7229249 CIFC10 H20 N2 O14 P4 Zn3A e a 210.2729; 18.1781; 10.7119
90; 90; 90
2000.36Paul, Avijit Kumar; Kanagaraj, Rajendiran; Jana, Ajay; Maji, Pradip
Novel Amine Templated Three-Dimensional Zinc-Organophosphonates with Variable Pore-Openings
CrystEngComm, 2017
7229719 CIFC37 H29 N3 SA e a 221.784; 27.581; 9.343
90; 90; 90
5614Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji
Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines
RSC Advances, 2017, 7, 56144
7702128 CIFC18 H10 N10 O8 Zn2A e a 217.8735; 20.9554; 20.7462
90; 90; 90
7770.4Li, Qin; Yu, Mei-Hui; Xu, Jian; Li, Ai-Lin; Hu, Tong-Liang; Bu, Xian-He
Two new metal-organic frameworks based on tetrazole-heterocyclic ligands accompanied by in situ ligand formation.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 3223-3228
7702130 CIFC60 H68 Br Fe N8A e a 223.9792; 29.3525; 18.8532
90; 90; 90
13269.8Simler, Thomas; Danopoulos, Andreas A.; Braunstein, Pierre
Non-symmetrical, potentially redox non-innocent imino NHC pyridine 'pincers' via a zinc ion template-assisted synthesis.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 5955-5964
7702163 CIFC34 H42 Mo N4 O7A e a 29.7458; 20.3853; 17.2757
90; 90; 90
3432.18Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín
Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.
Dalton transactions (Cambridge, England : 2003), 2017, 47, 197-208
7702164 CIFC34 H42 Mo N4 O6A e a 29.5954; 20.5989; 17.1471
90; 90; 90
3389.2Begines, Emilio; Carrasco, Carlos J.; Montilla, Francisco; Álvarez, Eleuterio; Marchetti, Fabio; Pettinari, Riccardo; Pettinari, Claudio; Galindo, Agustín
Oxidoperoxidomolybdenum(vi) complexes with acylpyrazolonate ligands: synthesis, structure and catalytic properties.
Dalton transactions (Cambridge, England : 2003), 2017, 47, 197-208
8106596 CIFC15 H23 N7 O4A e a 218.4956; 23.9806; 8.1572
90; 90; 90
3618Amr, Abd El-Galil E.; Khalifa, Nagy M.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.
Crystal structure of N 2,N 6-bis(1-hydrazinyl-2-methyl-1-oxopropan-2-yl) pyridine-2,6-dicarboxamide, C15H23N7O4
Zeitschrift für Kristallographie - New Crystal Structures, 2017, 232, 537-539
4349729 CIFC4 H16 Bi Cl5 N2A e a m17.8318; 21.9673; 7.5656
90; 90; 90
2963.57Piecha-Bisiorek, Anna; Gągor, Anna; Jakubas, Ryszard; Ciżman, Agnieszka; Janicki, Rafał; Medycki, Wojciech
Ferroelectricity in bis(ethylammonium) pentachlorobismuthate(iii): synthesis, structure, polar and spectroscopic properties
Inorganic Chemistry Frontiers, 2017, 4, 1281
1560458 CIFC31 H45 Ag3 Cl3 N11 O12A m a 26.4359; 41.977; 18.1773
90; 90; 90
4910.8Xiao, Ying-Hui; Huang, Jing; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan
Syntheses and characterizations of multinuclear, chain and layer silver(I) complexes assembled from bispyridine analogues of pyridinyl-hexahydropyrimidine
Journal of Solid State Chemistry, 2017, 251, 255-265
7228408 CIFBa Cu2 Se4 SnA m a 211.101; 11.189; 6.728
90; 90; 90
835.7Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie
BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations
RSC Adv., 2017, 7, 29378
7229379 CIFC7 H Ag2 N7 O7A m a 26.6521; 16.2005; 11.0651
90; 90; 90
1192.5Du, Ceng-Ceng; Wang, Xin-Fang; Zhou, Sheng-Bin; Wang, Duo-Zhi; Jia, Dianzeng
New complexes constructed from in situ nitration of (1H-tetrazol-5-yl)phenol: synthesis, structures and properties
CrystEngComm, 2017
1548782 CIFF N O4 Pb2A m a a5.78377; 14.63528; 5.81352
90; 90; 90
492.098Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov
One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures
Solid State Sciences, 2017, 71, 111-116
4002709 CIFMg4 O21 P6 Rb4A m m 25.2878; 21.1901; 9.6973
90; 90; 90
1086.57Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv
M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications
Chemistry of Materials, 2017, 29, 1845
4126951 CIFC4 H12 Cl4 Fe NA m m 27.218; 9.019; 9.362
90; 90; 90
609.5Harada, Jun; Yoneyama, Naho; Yokokura, Seiya; Takahashi, Yukihiro; Miura, Atsushi; Kitamura, Noboru; Inabe, Tamotsu
Ferroelectricity and Piezoelectricity in Free-Standing Polycrystalline Films of Plastic Crystals.
Journal of the American Chemical Society, 2017
7120415 CIFF2 N2 O7 Pb2A m m 25.1684; 15.051; 4.9061
90; 90; 90
381.64Peng, Guang; Yang, Yi; Tang, Yu-Huan; Luo, Min; Yan, Tao; Zhou, Yuqiao; Lin, Chensheng; Lin, Zheshuai; Ye, Ning
Collaborative Enhancement from Pb2+ and F- in Pb2(NO3)2(H2O)F2 Generates the Largest Second Harmonic Generation Effect Among Nitrates
Chem. Commun., 2017
7236867 CIFC3 Ca2 Na2 O9A m m 24.972; 11.068; 7.1271
90; 90; 90
392.2Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning
Explorations of new UV nonlinear optical materials in the Na2CO3‒CaCO3system
Journal of Materials Chemistry C, 2017, 5, 8758
4345503 CIFC5 H6 Cd Cl3 NA m m a6.7876; 7.3532; 17.718
90; 90; 90
884.3Sun, Xiao-Fen; Wang, Zhongxia; Li, Peng-Fei; Liao, Wei-Qiang; Ye, Heng-Yun; Zhang, Yi
Tunable Dielectric Responses Triggered by Dimensionality Modification in Organic-Inorganic Hybrid Phase Transition Compounds (C5H6N)CdnCl2n+1 (n = 1 and 2).
Inorganic chemistry, 2017, 56, 3506-3511
4126258 CIFC48 H24 N6 O8 Pd Zn2A m m m16.677; 16.673; 45.237
90; 90; 90
12578Ding, Yanjun; Chen, Ying-Pin; Zhang, Xinlei; Chen, Liang; Dong, Zhaohui; Jiang, Hai-Long; Xu, Hangxun; Zhou, Hong-Cai
Controlled Intercalation and Chemical Exfoliation of Layered Metal-Organic Frameworks Using a Chemically Labile Intercalating Agent.
Journal of the American Chemical Society, 2017
2108043 CIFAl4.8 O9.6 Si1.2B b 21 m75.817; 7.6752; 5.7686
90; 90; 90
3356.8Klar, Paul B.; de la Pinta, Noelia; Lopez, Gabriel A.; Etxebarria, Iñigo; Breczewski, Tomasz; Madariaga, Gotzon
Ordered vacancy distribution in 2/1 mullite: a superspace model
Acta Crystallographica Section B, 2017, 73
1546943 CIFAl2 O5 TiB b m m9.4359; 9.6425; 3.593
90; 90; 90
326.91Ohta, Y.; Kawauchi, Y.; Ban, T.
Cation distribution of pseudobrookite-type titanates and their phase stability
Journal of the Ceramic Society of Japan, 2017, 125, 695-700
4131706 CIFC3 H18 I7 N5 Pb2B m m 26.3729; 12.5435; 31.376
90; 90; 90
2508.1Soe, Chan Myae Myae; Stoumpos, Constantinos C.; Kepenekian, Mikaël; Traoré, Boubacar; Tsai, Hsinhan; Nie, Wanyi; Wang, Binghao; Katan, Claudine; Seshadri, Ram; Mohite, Aditya D.; Even, Jacky; Marks, Tobin J.; Kanatzidis, Mercouri G.
New Type of 2D Perovskites with Alternating Cations in the Interlayer Space, (C(NH<sub>2</sub>)<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>)<sub>n</sub>Pb<sub>n</sub>I<sub>3n+1</sub>: Structure, Properties, and Photovoltaic Performance.
Journal of the American Chemical Society, 2017, 139, 16297-16309
9017279 CIFCa O4 SB m m b7.03276; 7.02381; 6.32712
90; 90; 90
312.539Xu, H.; Guo, X.; Bai, J.
Thermal behavior of polyhalite: a high-temperature synchrotron XRD study Note: T = 648 K
Physics and Chemistry of Minerals, 2017, 44, 125-135
2242212 CIF
HKL
Paper
C H O3 RbC -114.945; 5.8212; 3.9699
89.343; 104.096; 92.748
334.59Larvor, Carla; Stöger, Berthold
The phase transition of rubidium hydrogen carbonate, RbHCO~3~
Acta Crystallographica Section E, 2017, 73, 975-979
1544385 CIFC114.7 H129.68 Br0.47 Cl3.14 I12 N24 O0.93 Zn6C 1 2 135.1845; 14.8561; 31.0855
90; 101.739; 90
15908.7Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia
Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method
Chem. Sci., 2017, 8, 1547
1544386 CIFC118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6C 1 2 135.2593; 14.8434; 31.0697
90; 101.611; 90
15928.1Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia
Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method
Chem. Sci., 2017, 8, 1547
1544658 CIFC39 H36 Cl2 Ir O2 PC 1 2 119.385; 16.22; 10.9215
90; 107.035; 90
3283.3Yang, Shuang; Che, Wen; Wu, Hui-Ling; Zhu, Shou-Fei; Zhou, Qi-Lin
Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids.
Chemical science, 2017, 8, 1977-1980
1544812 CIFC22 H12 F4 S2C 1 2 118.983; 6.635; 28.718
90; 101.14; 90
3549Zhang, Weifeng; Mao, Zupan; Chen, Zhihui; Huang, Jianyao; Wei, Congyuan; Gao, Dong; Lin, Zuzhang; Li, Hao; Wang, Liping; Yu, Gui
Ambipolar tetrafluorodiphenylethene-based donor‒acceptor copolymers: synthesis, properties, backbone conformation and fluorine-induced conformational locks
Polym. Chem., 2017, 8, 879
1545009 CIFC11 H13 O5.5C 1 2 120.881; 7.2139; 7.1436
90; 95.201; 90
1071.6Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel
α-Glucosidase Inhibitors from Malbranchea flavorosea.
Journal of natural products, 2017, 80, 190-195
1545092 CIFC16 H15 Br O2C 1 2 119.2401; 7.48163; 19.9656
90; 104.461; 90
2782.94Kossler, D.; Cramer, N.
Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions
Chem. Sci., 2017, 8, 1862
1545096 CIFC25 H32 Br N3 O P2 PdC 1 2 123.434; 10.7208; 10.6091
90; 95.3448; 90
2653.7Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.
A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions
Chem. Sci., 2017, 8, 2841
1545164 CIFC19 H20 O5C 1 2 118.9838; 9.0762; 9.3006
90; 97.114; 90
1590.16Li, Tian-Ze; Geng, Chang-An; Yin, Xiu-Juan; Yang, Tong-Hua; Chen, Xing-Long; Huang, Xiao-Yan; Ma, Yun-Bao; Zhang, Xue-Mei; Chen, Ji-Jun
Catalytic Asymmetric Total Synthesis of (+)- and (−)-Paeoveitol via a Hetero-Diels‒Alder Reaction
Organic Letters, 2017
1545171 CIFC20 H17 N2 O4C 1 2 132.711; 5.6403; 9.9643
90; 107.296; 90
1755.3Arai, Takayoshi; Tsuchida, Akiko; Miyazaki, Tomoya; Awata, Atsuko
Catalytic Asymmetric Synthesis of Chiral 2-Vinylindole Scaffolds by Friedel-Crafts Reaction.
Organic letters, 2017, 19, 758-761
1545182 CIFC32 H35 K1.5 Np1.5 O0.5C 1 2 122.6093; 14.7125; 9.0155
90; 90.415; 90
2998.8Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.
Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding
Chem. Sci., 2017, 8, 2553
1545199 CIFC16 H16 Cl N OC 1 2 128.4985; 11.4777; 9.0995
90; 103.188; 90
2897.92Canestrari, Daniele; Lancianesi, Stefano; Badiola, Eider; Strinna, Chiara; Ibrahim, Hasim; Adamo, Mauro F. A.
Desulfurative Chlorination of Alkyl Phenyl Sulfides.
Organic letters, 2017, 19, 918-921
1545283 CIFC15 H18 O11C 1 2 128.835; 6.5931; 9.909
90; 105.373; 90
1816.4Su, Lu; Khan, Sarosh; Fan, Jingwei; Lin, Yen-Nan; Wang, Hai; Gustafson, Tiffany P.; Zhang, Fuwu; Wooley, Karen L.
Functional sugar-based polymers and nanostructures comprised of degradable poly(d-glucose carbonate)s
Polym. Chem., 2017, 8, 1699
1545392 CIFC11 H16 O3C 1 2 116.6466; 5.644; 13.4475
90; 124.53; 90
1040.86Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias
Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.
Organic letters, 2017, 19, 1478-1481
1545395 CIFC11 H18 O3C 1 2 116.3801; 5.9374; 13.2895
90; 123.907; 90
1072.69Leisering, Stefan; Riaño, Iker; Depken, Christian; Gross, Leona J.; Weber, Manuela; Lentz, Dieter; Zimmer, Reinhold; Stark, Christian B. W.; Breder, Alexander; Christmann, Mathias
Synthesis of (+)-Greek Tobacco Lactone via a Diastereoablative Epoxidation and a Selenium-Catalyzed Oxidative Cyclization.
Organic letters, 2017, 19, 1478-1481
1545472 CIFC32 H33 N3 O8C 1 2 125.678; 11.0955; 19.564
90; 138.94; 90
3661.3Liu, Li; Wang, Long; Bao, Li; Ren, Jinwei; Bahadur Basnet, Buddha; Liu, Ruixing; He, Luwei; Han, Junjie; Yin, Wen-Bing; Liu, Hongwei
Versicoamides F-H, Prenylated Indole Alkaloids from Aspergillus tennesseensis.
Organic letters, 2017, 19, 942-945
1546128 CIFC117.06 H104.25 I12 N25.11 O10.05 Zn6C 1 2 134.9084; 14.9228; 29.6669
90; 101.028; 90
15169Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto
Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method
Chem. Sci., 2017
1546129 CIFC132.77 H138.74 I12 N24 O9.74 Zn6C 1 2 136.0217; 14.6919; 30.6728
90; 101.672; 90
15897.2Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto
Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method
Chem. Sci., 2017
1546130 CIFC100.85 H95.62 Cl11.35 I12.03 N24.48 O2.88 S0.48 Zn6C 1 2 133.9973; 14.9225; 31.1158
90; 101.047; 90
15493.3Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto
Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method
Chem. Sci., 2017
1546131 CIFC122.98 H117.96 I12 N28 Zn6C 1 2 134.869; 14.9135; 31.5649
90; 102.275; 90
16039.1Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto
Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method
Chem. Sci., 2017
1546132 CIFC136.11 H131.89 I12 N27.41 Zn6C 1 2 136.1897; 14.6874; 34.7427
90; 109.742; 90
17381.5Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto
Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method
Chem. Sci., 2017
1546313 CIFC16 H17 O2 PC 1 2 122.549; 5.7466; 11.4612
90; 105.767; 90
1429.3Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman
Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones.
Organic letters, 2017, 19, 3426-3429
1546385 CIFC26 H16 B2 F8 K2 N6 O2C 1 2 128.487; 12.3676; 8.8225
90; 94.05; 90
3100.5Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik
Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates
Chem. Sci., 2017
1546527 CIFC20 H32 O7.5C 1 2 139.283; 7.0114; 7.3524
90; 94.433; 90
2019Zhou, Junfei; Zhan, Guanqun; Zhang, Hanqi; Zhang, Qihua; Li, Ying; Xue, Yongbo; Yao, Guangmin
Rhodomollanol A, a Highly Oxygenated Diterpenoid with a 5/7/5/5 Tetracyclic Carbon Skeleton from the Leaves of Rhododendron molle.
Organic letters, 2017, 19, 3935-3938
1546645 CIF
HKL
Paper
C14 H20 N2 O5C 1 2 113.6968; 12.1053; 9.6353
90; 105.17; 90
1541.9Sivakumar, P.; Ezhamani, G.; Israel, S.; Chakkaravarthi, G.
2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate
IUCrData, 2017, 2, x170649
1546708 CIF
HKL
Paper
C23 H26 N4 O7C 1 2 125.6622; 8.7731; 10.3928
90; 101.847; 90
2289.96Qachchachi, Fatima-Zahrae; Mague, Joel T.; Kandri Rodi, Youssef; Haoudi, Amal; Ben-Tama, Abdeslem; Essassi, El Mokhtar
1-[(1-{[(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-yl]methyl}-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-2,3-dihydro-1<i>H</i>-indole-2,3-dione
IUCrData, 2017, 2, x170670
1546827 CIFC78 H52 B F24 N2 P2 RhC 1 2 125.683; 8.80488; 22.6553
90; 135.53; 90
3589Emerson-King, Jack; Knighton, Richard C.; Gyton, Matthew R.; Chaplin, Adrian B.
Rotaxane synthesis exploiting the M( <scp>i</scp> )/M( <scp>iii</scp> ) redox couple
Dalton Transactions, 2017, 46, 11645-11655
1546995 CIFC17.67 H21.28 Cl1.3 N0.89 O1.78C 1 2 118.548; 11.9461; 18.0773
90; 96.376; 90
3980.7Dixon, Darren; Xie, Lan-Gui
Tertiary Amine Synthesis via Reductive Coupling of Amides with Grignard Reagents
Chem. Sci., 2017
1547104 CIFC19 H26 Cl O3.5C 1 2 118.6435; 6.1999; 15.8122
90; 90.137; 90
1827.69Luo, Weiwei; Lin, Lili; Zhang, Yu; Liu, Xiaohua; Feng, Xiaoming
Construction of Distant Stereocenters by Enantioselective Desymmetrizing Carbonyl-Ene Reaction.
Organic letters, 2017, 19, 3374-3377
1547128 CIFC17 H24 N O6.5C 1 2 125.998; 12.1491; 11.3547
90; 103.78; 90
3483.2Zhan, Guanqun; Zhou, Junfei; Liu, Junjun; Huang, Jinfeng; Zhang, Hanqi; Liu, Rong; Yao, Guangmin
Acetylcholinesterase Inhibitory Alkaloids from the Whole Plants of Zephyranthes carinata.
Journal of natural products, 2017, 80, 2462-2471
1547164 CIFC21 H20 F3 N O9C 1 2 165.689; 4.6345; 21.077
90; 100.837; 90
6302.2Probst, Nicolas; Grelier, Gwendal; Ghermani, NourEddine; Gandon, Vincent; Alami, Mouâd; Messaoudi, Samir
Intramolecular Pd-Catalyzed Anomeric C(sp(3))-H Activation of Glycosyl Carboxamides.
Organic letters, 2017, 19, 5038-5041
1547361 CIFC27 H29 Cl2 I N2 O7C 1 2 122.1529; 9.8472; 15.6753
90; 121.483; 90
2916.1Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.
Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.
Organic letters, 2017, 19, 5066-5069
1547562 CIFC15 H14 O5C 1 2 116.4819; 5.7733; 14.4387
90; 106.49; 90
1317.4Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver
Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.
Organic letters, 2017, 19, 4722-4725
1547718 CIFC120 H125 N17 O31 Zn4C 1 2 125.016; 9.6759; 27.415
90; 116.342; 90
5946.8Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan
Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization
Nature Communications, 2017, 8, 361
1547719 CIFC120 H125 N17 O31 Zn4C 1 2 125.0155; 9.6927; 27.3884
90; 116.251; 90
5955.9Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan
Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization
Nature Communications, 2017, 8, 361
1547721 CIFC125 H134 N16 O33 Zn4C 1 2 124.9168; 9.6298; 27.373
90; 116.294; 90
5888.4Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan
Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization
Nature Communications, 2017, 8, 361
1547722 CIFC128 H140 N16 O32 Zn4C 1 2 124.9012; 9.6416; 27.3223
90; 116.379; 90
5876.7Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan
Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization
Nature Communications, 2017, 8, 361
1547861 CIFC32 H28 Br2 N2 O4.5C 1 2 123.9252; 10.3277; 12.9767
90; 98.8598; 90
3168.18Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang
Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.
Organic letters, 2017, 19, 6112-6115
1547863 CIFC31.5 H27 F2 N2 O4.5C 1 2 124.0915; 9.3008; 12.4495
90; 99.6191; 90
2750.34Chaudhari, Prakash D.; Hong, Bor-Cherng; Lee, Gene-Hsiang
Organocatalytic Enantioselective Michael-Michael-Michael-Aldol Condensation Reactions: Control of Six Stereocenters in a Quadruple-Cascade Asymmetric Synthesis of Polysubstituted Spirocyclic Oxindoles.
Organic letters, 2017, 19, 6112-6115
1547869 CIFAl0.5 Ca O2.75 Si0.5C 1 2 19.1372; 5.22418; 17.5119
90; 100.011; 90
823.19Kanzaki, M.; Xue, X.; Wu, Y.; Nie, S.
Crystal structures of two oxygen-deficient perovskite phases in the CaSiO3-CaAlO2.5 join :low pressure CaAl0.5Si0.5O2.75 phase model1
Physics and Chemistry of Minerals, 2017, 44, 717-733
1551829 CIFC124 H98 Cl4 F12 N10 O30 Zn2C 1 2 133.7737; 19.1957; 37.7788
90; 101.142; 90
24030.7Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu
Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles
Nature Chemistry, 2017, 9, 128-134
1553728 CIFC11 H16 F3 N O2 S2C 1 2 111.5; 10.46; 11.413
90; 95.06; 90
1367.5Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong
(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation
Organic Chemistry Frontiers, 2017, 4, 1051
1556016 CIFC29 H28 N2 O3C 1 2 122.49; 5.1816; 20.19
90; 90.78; 90
2352.6Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg
Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters.
Organic letters, 2017, 19, 674-677
1556018 CIFC23 H17 Cl O3C 1 2 120.5553; 9.5675; 22.2196
90; 115.687; 90
3937.9Infante, Rebeca; Martin-Alvarez, Jose M; Andrés, Celia; Nieto, Javier
Dimethylzinc-Mediated Addition of Phenylacetylene to α-Diketones Catalyzed by Chiral Perhydro-1,3-benzoxazines.
Organic letters, 2017, 19, 1516-1519
1556045 CIFC19 H20 O3C 1 2 117.9303; 6.8625; 13.4226
90; 99.456; 90
1629.16Iwamoto, Hiroaki; Akiyama, Sota; Hayama, Keiichi; Ito, Hajime
Copper(I)-Catalyzed Stereo- and Chemoselective Borylative Radical Cyclization of Alkyl Halides Bearing an Alkene Moiety.
Organic letters, 2017, 19, 2614-2617
1556053 CIFC22 H22 Cl N O6C 1 2 121.5482; 6.1634; 16.9021
90; 111.981; 90
2081.59Drelich, Piotr; Moczulski, Marek; Albrecht, Łukasz
d<sup>0</sup>a<sup>3</sup> Synthon Equivalents for the Stereocontrolled Synthesis of Functionalized 1,4-Amino Alcohol Precursors.
Organic letters, 2017, 19, 3143-3146
1556055 CIFC19 H19 Cl N6 OC 1 2 120.4899; 9.7314; 10.0601
90; 101.493; 90
1965.72Li, Dan; Wang, Kezhou; Wang, Linqing; Wang, Yuan; Wang, Pengxin; Liu, Xin; Yang, Dongxu; Wang, Rui
Magnesium Catalysis Mediated Tetrazoles in Desymmetrization Reaction of Aziridines.
Organic letters, 2017, 19, 3211-3214
1560377 CIFC6 H28 Cl Ga3 N6 O16 P4C 1 2 115.2153; 9.4589; 8.9097
90; 108.058; 90
1219.12Gao, Fan; Huang, Liangliang; Ma, Yike; Jiao, Shufei; Jiang, Yansong; Bi, Yanfeng
Ionothermal synthesis, characterization of a new layered gallium phosphate with an unusual heptamer SBU
Journal of Solid State Chemistry, 2017, 254, 155-159
1560570 CIFO4.5 P SmC 1 2 117.62646; 6.970438; 12.11419
90; 133.741; 90
1075.33Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Szenknect, Stéphanie; Dacheux, Nicolas
In pursuit of the rhabdophane crystal structure: from the hydrated monoclinic LnPO 4 .0.667H 2 O to the hexagonal LnPO 4 (Ln = Nd, Sm, Gd, Eu and Dy)
Journal of Solid State Chemistry, 2017, 249, 221-227
2020815 CIF
HKL
Paper
C32 H55 O5.5C 1 2 129.0091; 7.7205; 29.9984
90; 114.524; 90
6112.5Liu, Juan; Xu, Yang-Rong; An, Xing-Si; Hou, Gui-Ge; Meng, Qing-Guo
Synthesis and crystal structures of a 3-acetylated (20<i>S</i>,24<i>S</i>)-ocotillol-type saponin and its C-24 epimer
Acta Crystallographica Section C, 2017, 73, 464-469
2108128 CIF
HKL
Paper
C12 H29 Br2 Ca O15C 1 2 116.1449; 7.8881; 11.4702
90; 128.842; 90
1137.75Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study
Acta Crystallographica Section B, 2017, 73, 737-743
2108129 CIF
HKL
C12 H29 Br2 O15 SrC 1 2 116.439; 8.024; 11.1931
90; 128.142; 90
1161.2Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Canepa, Carlo; Mortati, Leonardo; Sassi, Maria Paola
Synthesis, structure and non-linear optical properties of new isostructural β-<small>D</small>-fructopyranose alkaline halide metal‒organic frameworks: a theoretical and an experimental study
Acta Crystallographica Section B, 2017, 73, 737-743
2241977 CIF
HKL
Paper
C22 H21 N5 S2 ZnC 1 2 119.27; 7.795; 14.834
90; 91.71; 90
2227.2Lee, Dong Won; Shin, Jong Won
Crystal structure of {(<i>S</i>)-1-phenyl-<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}bis(thiocyanato-κ<i>N</i>)zinc from synchrotron data
Acta Crystallographica Section E, 2017, 73, 17-19
2241988 CIF
HKL
Paper
C36 H52 Cl4 Co N2 O2C 1 2 113.8447; 9.2316; 14.7018
90; 99.605; 90
1852.68Gauchat, Eric; Nazarenko, Alexander Y.
Crystal structures of bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate
Acta Crystallographica Section E, 2017, 73, 63-67
2241989 CIF
HKL
C36 H52 Cl4 Cu N2 O2C 1 2 113.8066; 9.2934; 14.651
90; 99.318; 90
1855.1Gauchat, Eric; Nazarenko, Alexander Y.
Crystal structures of bis[(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium] tetrachloridocobaltate and tetrachloridocuprate
Acta Crystallographica Section E, 2017, 73, 63-67
2311091 CIF
HKL
C73 H120 N16 O19.5C 1 2 148.275; 8.932; 24.604
90; 119.72; 90
9214Gessmann, Renate; Axford, Danny; Brückner, Hans; Berg, Albrecht; Petratos, Kyriacos
A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution
Acta Crystallographica Section F, 2017, 73, 95-100
4032099 CIFC55.5 H81 N2 O8.5C 1 2 125.807; 16.852; 13.031
90; 112.568; 90
5233.2Shi, Yong; Jiang, Xiao-Ling; Tian, Wei-Sheng
Synthesis of 12,12'-azo-13,13'-diepi-Ritterazine N.
The Journal of organic chemistry, 2017, 82, 269-275
4032221 CIFC7 H13 I O5C 1 2 116.8154; 4.5652; 15.701
90; 120.592; 90
1037.53Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes
The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.
The Journal of organic chemistry, 2017, 82, 211-233
4032222 CIFC7 H13 I O5C 1 2 117.5832; 4.7115; 13.4131
90; 111.36; 90
1034.86Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes
The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.
The Journal of organic chemistry, 2017, 82, 211-233
4032438 CIFC24 H37.66 N9 O4.66C 1 2 123.3708; 14.0581; 16.9479
90; 93.186; 90
5559.6Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph
Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.
The Journal of organic chemistry, 2017, 82, 4203-4215
4032658 CIFC15 H26 O3 SiC 1 2 118.9377; 6.2442; 14.6275
90; 105.95; 90
1663.12Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.
Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.
The Journal of organic chemistry, 2017, 82, 8008-8022

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