Crystallography Open Database

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4341974 CIFC14 H14 I6 SnA 1 n 114.51196; 12.54724; 13.01629
90; 94.3032; 90
2363.39Maughan, Annalise E.; Kurzman, Joshua A.; Neilson, James R.
Hybrid Inorganic-Organic Materials with an Optoelectronically Active Aromatic Cation: (C7H7)2SnI6 and C7H7PbI3.
Inorganic chemistry, 2015, 54, 370-378
2020053 CIF
HKL
C6 H18 Cl Co N6 O4A 2 1 18.856; 11.95; 11.75
90; 90; 90
1243.5Guzei, Ilia A.; Arderne, Charmaine
Polymorphism of dinitro[tris(2-aminoethyl)amine]cobalt(III) chloride
Acta Crystallographica Section C, 2015, 71
2019768 CIF
HKL
Paper
C14 H10 I N OA b a 28.1164; 13.3844; 22.7824
90; 90; 90
2474.92Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi
Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries
Acta Crystallographica Section C, 2015, 71
2019787 CIF
HKL
Paper
C24 H20 Mn N10 O2A b a 212.379; 19.2445; 9.8987
90; 90; 90
2358.1Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie
Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand
Acta Crystallographica Section C, 2015, 71
4343284 CIFC15 H12.5 Co N2.5 O6A b a 214.028; 29.3136; 7.3395
90; 90; 90
3018.08Singha, Debal Kanti; Mahata, Partha
Highly Selective and Sensitive Luminescence Turn-On-Based Sensing of Al(3+) Ions in Aqueous Medium Using a MOF with Free Functional Sites.
Inorganic chemistry, 2015, 54, 6373-6379
7034378 CIFC6 H18 As Ce N4 S3A b a 219.758; 9.6623; 14.9521
90; 90; 90
2854.47Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng
A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 7203-7212
7034379 CIFC6 H18 As N4 Pr S3A b a 219.7203; 9.6404; 14.9599
90; 90; 90
2844.05Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng
A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 7203-7212
7034380 CIFC6 H18 As N4 Nd S3A b a 219.648; 9.625; 14.947
90; 90; 90
2826.7Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng
A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 7203-7212
7034381 CIFC6 H18 As N4 S3 SmA b a 219.4659; 9.57; 14.7915
90; 90; 90
2755.5Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng
A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 7203-7212
7116449 CIFC34 H34 N2 O4 S4A b a 228.621; 26.533; 9.756
90; 90; 90
7409Yu Jiang; Xiang-Ying Tang; Min Shi
A Rh-catalyzed 1,2-sulfur migration/aza-Diels-Alder cascade initiated by aza-vinyl carbenoids from sulfur-tethered N-sulfonyl-1,2,3-triazoles
Chem.Commun., 2015, 51, 2122
7116868 CIFC28 H26 Er N5 O13A b a 217.572; 54.043; 9.58
90; 90; 90
9098Das, Chinmoy; Upadhyay, Apoorva; Vaidya, Shefali; Singh, Saurabh Kumar; Rajaraman, Gopalan; Shanmugam, Maheswaran
Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study
Chemical Communications (Cambridge, United Kingdom), 2015, 51, 6137-6140
7116869 CIFC28 H26 Lu N5 O13A b a 217.439; 54.451; 9.5702
90; 90; 90
9088Das, Chinmoy; Upadhyay, Apoorva; Vaidya, Shefali; Singh, Saurabh Kumar; Rajaraman, Gopalan; Shanmugam, Maheswaran
Origin of SMM behaviour in an asymmetric Er(III) Schiff base complex: a combined experimental and theoretical study
Chemical Communications (Cambridge, United Kingdom), 2015, 51, 6137-6140
7154181 CIFC21 H19 N O4A b a 253.5172; 17.0124; 7.5768
90; 90; 90
6898.3Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter
Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.
Organic & biomolecular chemistry, 2015, 13, 729-750
7235994 CIFC54 H32 Cl18 Cu N4A c a a :223.675; 29.299; 34.539
90; 90; 90
23958Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay
Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks
RSC Advances, 2015, 5, 84134
7235995 CIFC54 H32 Cl18 Mn N4A c a a :223.717; 29.432; 34.422
90; 90; 90
24028Jackson, Sam L.; Rananaware, Anushri; Rix, Colin; Bhosale, Sheshanath V.; Latham, Kay
Clathrate directed assembly of tetrapyridyl-tetraphenylethylene metal‒organic frameworks
RSC Advances, 2015, 5, 84134
1561713 CIFC32 H27 N O5 ZnA e a 215.6909; 43.795; 7.7177
90; 90; 90
5303.5Li, Liang; Wang, Zihao; Chen, Qiang; Zhou, Xinhui; yang, Tao; Zhao, Qiang; Huang, Wei
Coordination polymers assembled from semirigid fluorene-based ligand: A couple of enantiomers
Journal of Solid State Chemistry, 2015, 231, 47-52
2311292 CIF
Paper
C7 H10 N O1.5A e a 212.4859; 14.3697; 7.732
90; 90; 90
1387.3Nguyen, Dalena M.; Desikan, Vasumathi; Golen, James A.; Manke, David R.
Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate.
Acta crystallographica. Section E, Crystallographic communications, 2015, 71, o533
2311312 CIFC14 H13 N O3A e a 215.337; 21.94; 6.808
90; 90; 90
2290.8Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda
A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.
Acta crystallographica. Section E, Crystallographic communications, 2015, 71, 1270-1277
4087434 CIFC24 H38 F6 Fe2 P S3A e a 218.018; 20.18; 15.868
90; 90; 90
5770Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping
Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes
Organometallics, 2015, 34, 1661
4129594 CIFC27 H31 Co N2A e a 216.0692; 16.4154; 8.581
90; 90; 90
2263.5Chen, Chi; Hecht, Maxwell B.; Kavara, Aydin; Brennessel, William W.; Mercado, Brandon Q.; Weix, Daniel J.; Holland, Patrick L.
Rapid, Regioconvergent, Solvent-Free Alkene Hydrosilylation with a Cobalt Catalyst.
Journal of the American Chemical Society, 2015, 137, 13244-13247
4342868 CIFC62 H56 Cl4 Er N7 O11A e a 218.705; 14.048; 23.527
90; 90; 90
6182.1Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei
Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.
Inorganic chemistry, 2015, 54, 5295-5300
4342869 CIFC62 H56 Cl4 N7 O11 YbA e a 218.705; 14.048; 23.527
90; 90; 90
6182.1Zhang, Kun; Zhang, Lei; Zhang, Song; Hu, Yong; Zheng, Youxuan; Huang, Wei
Construction of Identical [2 + 2] Schiff-Base Macrocyclic Ligands by Ln(III) and Zn(II) Template Ions Including Efficient Yb(III) Near-Infrared Sensitizers.
Inorganic chemistry, 2015, 54, 5295-5300
4344458 CIFC23 H20 B12 Co2 F12 OA e a 219.6; 19.585; 16.583
90; 90; 90
6366Malischewski, Moritz; Bukovsky, Eric V.; Strauss, Steven H.; Seppelt, Konrad
Jahn-Teller Effect in the B12F12 Radical Anion and Energetic Preference of an Octahedral B6(BF2)6 Cluster Structure over an Icosahedral Structure for the Elusive Neutral B12F12.
Inorganic chemistry, 2015, 54, 11563-11566
4346149 CIFC18 H22 Fe N6 Se2A e a 213.2; 17.8552; 9.0813
90; 90; 90
2140.4Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine
Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.
Inorganic chemistry, 2015, 54, 5145-5147
4346150 CIFC18 H22 Fe N6 Se2A e a 239.457; 17.701; 8.9839
90; 90; 90
6274.6Luan, Jie; Zhou, Jian; Liu, Zhan; Zhu, Bowen; Wang, Huisi; Bao, Xin; Liu, Wei; Tong, Ming-Liang; Peng, Guo; Peng, Haonan; Salmon, Lionel; Bousseksou, Azzedine
Polymorphism-Dependent Spin-Crossover: Hysteretic Two-Step Spin Transition with an Ordered [HS-HS-LS] Intermediate Phase.
Inorganic chemistry, 2015, 54, 5145-5147
4346342 CIFC52 H68 Co2 N46 O35A e a 217.9725; 32.179; 15.7563
90; 90; 90
9112Myers, Thomas W.; Chavez, David E.; Hanson, Susan K.; Scharff, R. Jason; Scott, Brian L.; Veauthier, Jacqueline M.; Wu, Ruilian
Independent Control of Optical and Explosive Properties: Pyrazole-Tetrazine Complexes of First Row Transition Metals.
Inorganic chemistry, 2015, 54, 8077-8086
4513766 CIFC20 H26 Cl F6 N3 P RhA e a 228.458; 12.7428; 13.1834
90; 90; 90
4780.8Ghorai, Debasish; Dutta, Champak; Choudhury, Joyanta
Switching of “Rollover Pathway” in Rhodium(III)-Catalyzed C‒H Activation of Chelating Molecules
ACS Catalysis, 2015, 709
7036967 CIFC16 H24 B2 Fe N6A e a 214.3553; 15.2389; 8.8543
90; 90; 90
1937Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min
In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20551-20561
7036968 CIFC16 H24 B2 Fe N6A e a 214.3196; 15.4416; 9.451
90; 90; 90
2089.8Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min
In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20551-20561
7036970 CIFC16 H24 B2 N6 NiA e a 214.329; 15.405; 9.2136
90; 90; 90
2033.8Zhou, Jian; Zhu, Bo-Wen; Luan, Jie; Liu, Zhan; Fang, Jing-Kun; Bao, Xin; Peng, Guo; Tucek, Jiri; Bao, Song-Song; Zheng, Li-Min
In air a spin crossover active iron(ii) complex of amine/NCBH3(-) ligands is converted to a low spin complex of imine/CN(-) ligands.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20551-20561
7118054 CIFC22 H15 I N4 OA e a 222.3839; 36.433; 10.0332
90; 90; 90
8182.2Hu, Yancheng; Yi, Ruxia; Yu, Xinzhang; Xin, Xiaoyi; Wang, Chunxiang; Wan, Boshun
O-Transfer-facilitated cyclizations of propargylamides with TMSN3: selective synthesis of tetrazoles and dihydroimidazoles.
Chemical communications (Cambridge, England), 2015, 51, 15398-15401
7223536 CIFC84 H89.5 Fe2 N20 O8.75A e a 214.6547; 34.5808; 35.0669
90; 90; 90
17770.9Papadakis, Raffaello; Deligkiozi, Ioanna; Giorgi, Michel; Faure, Bruno; Tsolomitis, Athanase
Supramolecular complexes involving non-symmetric viologen cations and hexacyanoferrate(II) anions. A spectroscopic, crystallographic and computational study.
RSC Advances, 2015, 6, 575-585
7223564 CIFC24 H18 Cl2 F2 Mn N4 O2A e a 213.476; 19.011; 9.349
90; 90; 90
2395.1Khavasi, Hamid Reza; Ghanbarpour, Alireza; Azhdari Tehrani, Alireza
The role of intermolecular interactions involving halogens in the supramolecular architecture of a series of Mn(II) coordination compounds
RSC Adv., 2015
4341857 CIFBa3 Eu3 Na O20 Si6A m a 214.777; 23.926; 5.5533
90; 90; 90
1963.4Heyward, Carla C.; McMillen, Colin D.; Kolis, Joseph W.
Hydrothermal growth of lanthanide borosilicates: a useful approach to new acentric crystals including a derivative of cappelenite.
Inorganic chemistry, 2015, 54, 905-913
4344008 CIFB7 Cs2 Li5 O14A m a 221.2775; 13.6296; 4.4283
90; 90; 90
1284.22Li, Lin; Han, Shujuan; Lei, Binghua; Dong, Xiaoyu; Wu, Hongping; Zhou, Zhongxiang; Yang, Zhihua; Pan, Shilie
Two New Crystals in LimCsnBm+nO2(m+n) (m + n = 5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O10.
Inorganic chemistry, 2015, 54, 7381-7387
4512830 CIFC3 H Cl3 N2A m a 29.9264; 16.0761; 3.8161
90; 90; 90
608.96Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej
Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles
Crystal Growth & Design, 2015, 15, 1658
4512831 CIFC3 H Br3 N2A m a 210.1305; 16.7094; 4.0483
90; 90; 90
685.27Andrzejewski, Michał; Marciniak, Jędrzej; Rajewski, Kacper W.; Katrusiak, Andrzej
Halogen and Hydrogen Bond Architectures in Switchable Chains of Di- and Trihaloimidazoles
Crystal Growth & Design, 2015, 15, 1658
4513025 CIFC26 H33 N O6A m a 213.8342; 22.8608; 7.8578
90; 90; 90
2485.11Drużbicki, Kacper; Mielcarek, Jadwiga; Kiwilsza, Anna; Toupet, Loic; Collet, Eric; Pajzderska, Aleksandra; Wąsicki, Jan
Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine
Crystal Growth & Design, 2015, 15, 2817
7034649 CIFC37 H58 Cl4 Co2 N8 O13A m a 224.1438; 17.6734; 10.6296
90; 90; 90
4535.68Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee
Inducing magnetic communication in caged dinuclear Co(ii) systems.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 8649-8659
7034650 CIFC37 H58 Br Cl3 Co2 N8 O13A m a 224.3318; 17.6327; 10.6002
90; 90; 90
4547.9Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee
Inducing magnetic communication in caged dinuclear Co(ii) systems.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 8649-8659
7220165 CIFC16 H32 Cl Cu3 I4 N4 O4A m a 228.8; 10.33; 9.2214
90; 90; 90
2743.4Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua
Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers
RSC Adv., 2015
7220166 CIFC16 H32 Cl Cu3 I4 N4 O4A m a 228.536; 10.276; 9.2102
90; 90; 90
2700.8Zeng, Guang; Xing, Shanghua; Han, Xu; Xin, Bingjing; Yang, Yulin; Wang, Xiuru; Li, Guanghua; Shi, Zhan; Feng, Shouhua
Reversible photoluminescence switching behavior and luminescence thermochromism of copper (І) halide cluster coordination polymers
RSC Adv., 2015
2300499 CIF
Paper
K0.5 Na0.5 Nb O3A m m 23.9443; 5.6425; 5.6763
90; 90; 90
126.33Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M.
Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~
Journal of Applied Crystallography, 2015, 48
4342929 CIFCe2 Fe0.75 O2 Se2 Zn0.25B m a b22.74948; 5.69246; 17.63155
90; 90; 90
2283.29Ainsworth, Chris M.; Wang, Chun-Hai; Johnston, Hannah E.; McCabe, Emma E.; Tucker, Matthew G.; Brand, Helen E. A.; Evans, John S. O.
Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.
Inorganic chemistry, 2015, 54, 7230-7238
7157218 CIFC57 H109 N11 O8 SC 159.086; 9.0002; 18.4644
90.05; 105.8; 89.986
9448.1Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin
Chelate effects in sulfate binding by amide/urea-based ligands.
Organic & biomolecular chemistry, 2015, 13, 6953-6957
1517990 CIFC197.82 H137.82 Cl5.46C 1 2 153.108; 21.244; 26.197
90; 98.53; 90
29229Matsuno, Taisuke; Sato, Sota; Iizuka, Ryosuke; Isobe, Hiroyuki
Molecular recognition in curved π-systems: effects of π-lengthening of tubular molecules on thermodynamics and structures
Chem. Sci., 2015, 6, 909
1518275 CIFC14 H19 N OC 1 2 17.0592; 9.6718; 18.5618
90; 91.179; 90
1267.04Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter
Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.
Chemical science (Royal Society of Chemistry : 2010), 2015, 6, 1219-1224
1518338 CIFC36 H54 F18 N15 P3 Ru3 S9C 1 2 127.5079; 16.0629; 14.4082
90; 108.033; 90
6053.6Zubi, Ahmed; Wragg, Ashley; Turega, Simon; Adams, Harry; Costa, Paulo J.; Félix, Vítor; Thomas, Jim A.
Modulating the electron-transfer properties of a mixed-valence system through host‒guest chemistry
Chem. Sci., 2015, 6, 1334
1518451 CIFC33 H31.75 N2 O5.88C 1 2 152.27; 5.01; 22.83
90; 105.49; 90
5761Raeburn, Jaclyn; Mendoza-Cuenca, Cristina; Cattoz, Beatrice N.; Little, Marc A.; Terry, Ann E.; Zamith Cardoso, Andre; Griffiths, Peter C.; Adams, Dave J.
The effect of solvent choice on the gelation and final hydrogel properties of Fmoc-diphenylalanine.
Soft matter, 2015, 11, 927-935
1518456 CIFC21 H28 O4 SC 1 2 119.3925; 6.0017; 17.9993
90; 107.635; 90
1996.45Lan, Ping; Banwell, Martin G.; Willis, Anthony C.
Chemoenzymatic Synthesis of the Enantiomer of 4,12-Dihydroxysterpurene, the Structure Assigned to a Metabolite Isolated from the Culture Broth of Stereum purpureum.
Organic letters, 2015, 17, 166-169
1518461 CIFC24 H21 Cl2 N O4C 1 2 121.3083; 16.6395; 17.8923
90; 118.967; 90
5550.3Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong
Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.
Organic letters, 2015, 17, 150-153
1518466 CIFC24.5 H26.52 O7C 1 2 143.491; 5.5109; 18.3225
90; 95.331; 90
4372.4McDonald, Benjamin R.; Nibbs, Antoinette E.; Scheidt, Karl A.
A biomimetic strategy to access the silybins: total synthesis of (-)-isosilybin a.
Organic letters, 2015, 17, 98-101
1518597 CIFC25 H22 F4 P2C 1 2 121.0973; 8.3882; 6.3567
90; 102.383; 90
1098.76Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W.
Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines
Chem. Sci., 2015, 6, 2016
1518716 CIFC42 H55 Cl2 N5 O10C 1 2 125.187; 8.1556; 21.154
90; 99.308; 90
4288.1Rose, Tristan E.; Lawson, Kenneth V.; Harran, Patrick. G.
Large ring-forming alkylations provide facile access to composite macrocycles
Chem. Sci., 2015, 6, 2219
1518774 CIFC17 H24 O6C 1 2 119.391; 6.455; 15.383
90; 115.322; 90
1740Gao, Chun; Han, Li; Zheng, Dan; Jin, Hongwei; Gai, Chunyan; Wang, Jianbin; Zhang, Hao; Zhang, Liangren; Fu, Hongzheng
Dimeric Abietane Diterpenoids and Sesquiterpenoid Lactones from Teucrium viscidum.
Journal of natural products, 2015, 78, 630-638
1518906 CIFC34 H18 O2C 1 2 113.707; 6.3468; 13.269
90; 103.472; 90
1122.6Sbargoud, Kamal; Mamada, Masashi; Marrot, Jérôme; Tokito, Shizuo; Yassar, Abderrahim; Frigoli, Michel
Diindeno[1,2-b:2′,1′-n]perylene: a closed shell related Chichibabin's hydrocarbon, the synthesis, molecular packing, electronic and charge transport properties
Chem. Sci., 2015, 6, 3402
1519441 CIFC28 H28 O4C 1 2 122.183; 7.95; 15.744
90; 122.929; 90
2330.5Verrier, Charlie; Melchiorre, Paolo
Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans
Chem. Sci., 2015, 6, 4242
1519634 CIFC63.2 H72.55 I6 N13.06 Zn3C 1 2 135.1081; 14.6516; 31.3279
90; 101.649; 90
15782.8Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1519635 CIFC60.26 H61.53 I6 N14 Zn3C 1 2 135.2721; 14.6427; 31.6037
90; 102.029; 90
15964.2Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1519636 CIFC84.5 H64 I12.04 N24 S0.5 Zn6C 1 2 134.8299; 14.9133; 31.5387
90; 102.403; 90
15999.8Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1519637 CIFC87.64 H68.04 I12 N24 S0.62 Zn6C 1 2 134.4391; 15.0959; 29.9556
90; 101.454; 90
15263.4Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1519638 CIFC85.6 H63.3 I12 N24 O1.7 Zn6C 1 2 134.2; 15.1265; 31.003
90; 102.385; 90
15665Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1519639 CIFC86.95 H64.82 I12 N24 O1.87 Zn6C 1 2 134.627; 15.0818; 31.194
90; 102.792; 90
15886Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto
Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method
Chem. Sci., 2015, 6, 3765
1520529 CIFC51 H30 Co3 N3 O12C 1 2 117.173; 19.784; 13.887
90; 95.771; 90
4694Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.
Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework
Chem. Sci., 2015, 6, 4986
1520530 CIFC51 H30 Co3 N3 O12C 1 2 117.0391; 20.0278; 13.8334
90; 96.243; 90
4692.7Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J.
Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework
Chem. Sci., 2015, 6, 4986
1520623 CIFC22 H44 F0.5 N0.5 O7C 1 2 125.1923; 9.6565; 10.6715
90; 92.2457; 90
2594.06Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique
Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity
Chem. Sci., 2015, 6, 5293
1520720 CIFC21 H31 Cl3 O2C 1 2 122.6971; 11.6034; 19.6097
90; 124.027; 90
4280.19Wang, Li-Jun; Xiong, Juan; Liu, Shu-Ting; Pan, Li-Long; Yang, Guo-Xun; Hu, Jin-Feng
ent-Abietane-Type and Related Seco-/Nor-diterpenoids from the Rare Chloranthaceae Plant Chloranthus sessilifolius and Their Antineuroinflammatory Activities.
Journal of natural products, 2015, 78, 1635-1646
1520956 CIFC34 H46 Cl In N4 O2C 1 2 136.78; 8.3688; 24.188
90; 115.26; 90
6733.3Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.
Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization
Chem. Sci., 2015, 6, 5284
1529085 CIFC70 H76 N4C 1 2 134.833; 5.8219; 28.205
90; 98.49; 90
5657.1Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio
A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
Chem. Sci., 2015, 6, 5466
1529087 CIFC70 H74 N6C 1 2 135.689; 5.9481; 28.84
90; 97.562; 90
6069Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio
A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
Chem. Sci., 2015, 6, 5466
1529395 CIFC9 H13 I O4C 1 2 117.7416; 5.1188; 12.1148
90; 92.9213; 90
1098.78Lan, Ping; White, Lauren E.; Taher, Ehab S.; Guest, Prudence E.; Banwell, Martin G.; Willis, Anthony C.
Chemoenzymatic Synthesis of (+)-Asperpentyn and the Enantiomer of the Structure Assigned to Aspergillusol A.
Journal of natural products, 2015, 78, 1963-1968
1529474 CIFC15 H21 I OC 1 2 122.448; 6.0248; 11.443
90; 97.517; 90
1534.3Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing
Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols
Chem. Sci., 2015, 6, 6986
1529506 CIFC19 H16 O2C 1 2 114.321; 8.9769; 11.71
90; 91.66; 90
1504.78Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd
Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes
Chem. Sci., 2015, 6, 7034
1529508 CIFC19 H16 O2C 1 2 114.3185; 8.9738; 11.7148
90; 91.675; 90
1504.61Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd
Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] ‒ the Fe-catalyzed Cloke‒Wilson rearrangement of vinyl and arylcyclopropanes
Chem. Sci., 2015, 6, 7034
1530696 CIFC27 H21 N1.5 O6 P1.5C 1 2 118.901; 7.5595; 17.833
90; 111.235; 90
2375Abbassi, Leïla; Chabre, Yoann M.; Kottari, Naresh; Arnold, Alexandre A.; André, Sabine; Josserand, Johan; Gabius, Hans-Joachim; Roy, René
Multifaceted glycodendrimers with programmable bioactivity through convergent, divergent, and accelerated approaches using polyfunctional cyclotriphosphazenes
Polym. Chem., 2015, 6, 7666
1531045 CIFC38.5 H29 Cl O4C 1 2 116.8074; 10.9989; 16.649
90; 92.018; 90
3075.9Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min
Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones
Chem. Sci., 2015, 6, 7319
1534348 CIFC20 H32 O3C 1 2 133.5582; 7.4109; 14.7554
90; 97.8284; 90
3635.4Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H.
Labdane and Clerodane Diterpenoids from Colophospermum mopane.
Journal of natural products, 2015, 78, 2494-2504
1540477 CIFC18 H21 N O4C 1 2 114.0792; 6.7979; 17.748
90; 95.958; 90
1689.47Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung
γ- and δ-Lactams from the Leaves of Clausena lansium.
Journal of natural products, 2015, 78, 2521-2530
1540622 CIFC27 H20 Cl F3 N2 O3C 1 2 119.9301; 11.6169; 12.0116
90; 106.035; 90
2672.8Zhou, Ding; Huang, Zheng; Yu, Xueting; Wang, Youxin; Li, Jian; Wang, Wei; Xie, Hexin
A Quinine-Squaramide Catalyzed Enantioselective Aza-Friedel-Crafts Reaction of Cyclic Trifluoromethyl Ketimines with Naphthols and Electron-Rich Phenols.
Organic letters, 2015, 17, 5554-5557
1548478 CIFC22 H27 N O3C 1 2 130.107; 5.8007; 11.5447
90; 99.634; 90
1987.8Milan Bergeron-Brlek; Michael Meanwell; Robert Britton
Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars
Nature Communications, 2015, 6, 6903
1551330 CIFC72 H84 N12C 1 2 133.883; 20.467; 25.712
90; 95.249; 90
17756Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551331 CIFC155.5 H234 Cl N24 O21.5C 1 2 134.692; 19.8867; 26.6702
90; 93.334; 90
18369Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1551332 CIFC154 H208.5 Cl9 N24 O11.75C 1 2 134.796; 19.8984; 26.7636
90; 93.452; 90
18497Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
Trapping virtual pores by crystal retro-engineering
Nature Chemistry, 2015, 7, 153-159
1553281 CIFC69 H92 O13C 1 2 118.0066; 13.5854; 13.2739
90; 93.898; 90
3239.64Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang
Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.
Journal of natural products, 2015, 78, 885-895
1554898 CIFC13 H15 Br Cl N O3C 1 2 116.929; 4.841; 36.446
90; 101.211; 90
2930Shemet, Andrej; Sarlah, David; Carreira, Erick M.
Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.
Organic letters, 2015, 17, 1878-1881
1555044 CIFC21 H36 O4 SiC 1 2 122.265; 7.7011; 12.8529
90; 102.095; 90
2154.9Peng, Shao-Zheng; Sha, Chin-Kang
Stereoselective Total Syntheses of Guanacastepenes N and O.
Organic letters, 2015, 17, 3486-3489
1555095 CIFC19 H16 O2C 1 2 117.095; 5.874; 15.476
90; 106; 90
1493.8Ren, Wenlong; Chang, Wenju; Wang, Yang; Li, Jingfu; Shi, Yian
Pd-Catalyzed Regiodivergent Hydroesterification of Aryl Olefins with Phenyl Formate.
Organic letters, 2015, 17, 3544-3547
1555365 CIFC24 H25 Br N2 O4 SC 1 2 19.512; 19.054; 30.838
90; 93.81; 90
5577Shu, Xing-zhong; Schienebeck, Casi M.; Li, Xiaoxun; Zhou, Xin; Song, Wangze; Chen, Lianqing; Guzei, Ilia A.; Tang, Weiping
Rhodium-Catalyzed Stereoselective Intramolecular [5 + 2] Cycloaddition of 3-Acyloxy 1,4-Enyne and Alkene.
Organic letters, 2015, 17, 5128-5131
1555436 CIFC24 H24 N4 O3C 1 2 137.9789; 14.5891; 21.4715
90; 119.848; 90
10318.8Yang, Van-Wei; Hong, Bor-Cherng; Kao, Hsin-Kai; Tu, Ting-Hsun; Shen, Jiun-Yi; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai
One-Pot Dichotomous Construction of Inside-Azayohimban and Pro-Azayohimban Systems via an Enantioselective Organocatalytic Cascade; Their Use as a Model to Probe the (Aza-)Indole Local Solvent Environment.
Organic letters, 2015, 17, 5816-5819
1555449 CIFC20 H30 O2C 1 2 120.0748; 6.8584; 25.9078
90; 106.399; 90
3421.9Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong
Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.
Organic letters, 2015, 17, 6062-6065
1555451 CIFC24 H36 O4C 1 2 131.775; 7.261; 19.184
90; 104.026; 90
4294.1Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong
Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.
Organic letters, 2015, 17, 6062-6065
1556786 CIFC31 H19 F4 I N2 O4C 1 2 125.216; 6.0746; 19.0419
90; 107.453; 90
2782.5Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John
A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.
IUCrJ, 2015, 2, 498-510
2019770 CIF
HKL
Paper
Ca3 Ge5 O14 ZnC 1 2 113.938; 7.941; 5.056
90; 90.817; 90
559.5Redhammer, Günther J.
Ca~3~ZnGeO~2~[Ge~4~O~12~]: a Ca‒Zn germanate related to the mineral taikanite
Acta Crystallographica Section C, 2015, 71
2019861 CIF
HKL
C30 H42 N4 Pd S4C 1 2 118.3559; 9.6747; 10.3368
90; 116.81; 90
1638.37Begum, M. Sabina; Howlader, M. Belayet Hossain; Sheikh, M. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio
Crystal structure of bis[S-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ2N3,S]palladium(II)
Acta Crystallographica Section E Crystallographic Communications, 2015, 71, m63
2019908 CIF
HKL
Paper
C10 H18 Br2 Ca N2 O4C 1 2 120.598; 7.679; 9.7974
90; 95.553; 90
1542.4Lamberts, Kevin; Şerb, Mihaela-Diana; Englert, Ulli
One- and two-dimensional polymers from proline and calcium bromide
Acta Crystallographica Section C, 2015, 71
2019994 CIF
HKL
Paper
C10 H17 N O6C 1 2 121.7231; 5.6603; 32.075
90; 98.95; 90
3895.9Arkhipov, Sergey G.; Rychkov, Denis A.; Pugachev, Alexey M.; Boldyreva, Elena V.
New hydrophobic <small>L</small>-amino acid salts: maleates of <small>L</small>-leucine, <small>L</small>-isoleucine and <small>L</small>-norvaline
Acta Crystallographica Section C, 2015, 71
2020005 CIF
HKL
Paper
C17 H17 N O4 ZnC 1 2 133.2283; 6.6469; 7.4241
90; 91.299; 90
1639.3Ying, Shao-Ming; Ru, Jing-Jing; Luo, Wu-Kui
Hydrothermal synthesis, crystal structure and photoluminescence of two homochiral zinc(II) coordination polymers
Acta Crystallographica Section C, 2015, 71, 618-622
2106777 CIF
HKL
Paper
Bi14 O36 S5C 1 2 121.658; 5.6648; 15.092
90; 119.433; 90
1612.6Pinto, 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
2240641 CIF
HKL
Paper
C52 H55 N3 O15C 1 2 138.3346; 8.0744; 16.1659
90; 91.222; 90
5002.7Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.; Zubkova, Olga V.
Crystal packing in three related disaccharides: precursors to heparan sulfate oligosaccharides
Acta Crystallographica Section E, 2015, 71, 582-587
2240798 CIF
HKL
Paper
C6 H14 Cl2 N2 O4 Se2C 1 2 118.8045; 5.2529; 7.2719
90; 102.219; 90
702.03Görbitz, Carl Henrik; Levchenko, Vladimir; Semjonovs, Jevgenijs; Sharif, Mohamed Yusuf
Crystal structure of seleno-<small>L</small>-cystine dihydrochloride
Acta Crystallographica Section E, 2015, 71, 726-729

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