Crystallography Open Database
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Searching year of publication is 2016
COD ID  |
Links | Formula |
Space group  |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2108010 | CIF Paper | Al1.44 Ca0.49 Na0.51 O8 Si2.56 | ? | 8.1661; 12.8545; 14.235 93.5777; 116.309; 89.593 | 1336.52 | Xu, Huifang; Jin, Shiyun; Noll, Bruce C. Incommensurate density modulation in a Na-rich plagioclase feldspar: <i>Z</i>-contrast imaging and single-crystal X-ray diffraction study Acta Crystallographica Section B, 2016, 72, 904-915 |
| 2107628 | CIF HKL Paper | Bi2.27 Cu O6.18 Sr1.73 | A 1 2/a 1 | 5.3869; 5.3874; 24.579 90; 90.01; 90 | 713.32 | Mironov, Andrei V.; Petříček, Vaclav; Khasanova, Nellie R.; Antipov, Evgeny V. New insight on bismuth cuprates with incommensurate modulated structures Acta Crystallographica Section B, 2016, 72, 395-403 |
| 1548079 | CIF | C68 H90 O12 P4 Zn11 | A e a 2 | 27.6082; 23.0173; 24.3319 90; 90; 90 | 15462.1 | Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles Nature Communications, 2016, 7, 13008 |
| 1553642 | CIF | C18 H19 N3 | A e a 2 | 12.2491; 35.949; 13.088 90; 90; 90 | 5763.2 | Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums. Chemical science, 2016, 7, 5530-5536 |
| 1561546 | CIF | Ce4 Ga S9 Sb | A e a 2 | 13.8834; 14.3004; 14.4102 90; 90; 90 | 2861 | Zhao, Hua-Jun Centrosymmetry vs noncentrosymmetry in La2Ga0.33SbS5 and Ce4GaSbS9 based on the interesting size effects of lanthanides: Syntheses, crystal structures, and optical properties Journal of Solid State Chemistry, 2016, 237, 99-104 |
| 1561617 | CIF | C20 H19 Cd1.5 N4 O10 S | A e a 2 | 14.373; 38.22; 9.0099 90; 90; 90 | 4949.5 | Ren, Yixia; Chai, Hongmei; Tang, Long; Hou, Xiangyang; Wang, Jijiang Structural diversity and fluorescence properties of three 2-sulfoterephthalate CdII/ZnII coordination polymers employing 1,4-bisbenzimidazole Journal of Solid State Chemistry, 2016, 234, 103-109 |
| 2311859 | CIF Paper | C17 H10 O S2 | A e a 2 | 18.2186; 20.0166; 7.2534 90; 90; 90 | 2645.13 | Katzsch, Felix; Gruber, Tobias; Weber, Edwin Crystal structures of functional building blocks derived from bis(benzo[b]thiophen-2-yl)methane. Acta crystallographica. Section C, Structural chemistry, 2016, 72, 679-684 |
| 4088708 | CIF | C36 H47.5 Ir N P2 | A e a 2 | 16.455; 28.172; 28.44 90; 90; 90 | 13184 | Vilanova, Sean P.; Iluc, Vlad M. Aryl and Benzyl C‒H Activation of N-Substituted PNP Ligands Organometallics, 2016, 35, 2110 |
| 4124996 | CIF | C84 H86 B F20 Li N4 Si2 | A e a 2 | 21.7127; 29.2279; 26.0364 90; 90; 90 | 16523.1 | Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C. Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry. Journal of the American Chemical Society, 2016, 138, 4589-4600 |
| 4347097 | CIF | C62 H60 Au2 Br2 N8 O2 | A e a 2 | 19.9551; 20.196; 27.3545 90; 90; 90 | 11024.2 | Penney, Alexander A.; Sizov, Vladimir V.; Grachova, Elena V.; Krupenya, Dmitry V.; Gurzhiy, Vladislav V.; Starova, Galina L.; Tunik, Sergey P. Aurophilicity in Action: Fine-Tuning the Gold(I)-Gold(I) Distance in the Excited State To Modulate the Emission in a Series of Dinuclear Homoleptic Gold(I)-NHC Complexes. Inorganic chemistry, 2016, 55, 4720-4732 |
| 4347106 | CIF | C48 H50 Br4 N6 P2 Pd2 | A e a 2 | 17.937; 25.291; 13.2153 90; 90; 90 | 5995.1 | Kumar, Anuj; Gangwar, Manoj Kumar; Prakasham, A. P.; Mhatre, Darshan; Kalita, Alok Ch; Ghosh, Prasenjit Accessing a Biologically Relevant Benzofuran Skeleton by a One-Pot Tandem Heck Alkynylation/Cyclization Reaction Using Well-Defined Palladium N-Heterocyclic Carbene Complexes. Inorganic chemistry, 2016, 55, 2882-2893 |
| 4347508 | CIF | C36 H20 Fe N10 S4 | A e a 2 | 12.7935; 26.6085; 9.9374 90; 90; 90 | 3382.8 | Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song Two Magnetic Switching Complexes Based on the Fe(II) Ion. Inorganic chemistry, 2016, 55, 7805-7807 |
| 4347509 | CIF | C36 H20 Fe N10 S4 | A e a 2 | 13.402; 26.5439; 9.5831 90; 90; 90 | 3409.1 | Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song Two Magnetic Switching Complexes Based on the Fe(II) Ion. Inorganic chemistry, 2016, 55, 7805-7807 |
| 4349276 | CIF | C113 H88 O18 Ru8 S2 | A e a 2 | 31.004; 28.866; 22.39 90; 90; 90 | 20038 | Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens. Inorganic chemistry, 2016, 55, 12061-12073 |
| 7038038 | CIF | C145 H167 Br14 Co14 N28 O44 | A e a 2 | 19.02; 30.995; 31.396 90; 90; 90 | 18509 | Zhang, Yanping; Lv, Rui; Wang, Jingyao; Yang, Linyan; Liao, Shengyun; Tian, Jinlei; Gu, Wen; Liu, Xin Two novel μ6-O2- bridged Co14/Ni14 hydroxamate Clusters packed in distorted face-centered cubic patterns Dalton Transactions, 2016, 45, 3247-3250 |
| 7040916 | CIF | C69 H78 Cl2 N4 O12 Re4 S4 | A e a 2 | 38.243; 11.6015; 16.5828 90; 90; 90 | 7357.4 | Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18346-18355 |
| 7040918 | CIF | C69 H74 Cl2 N4 O12 Re4 S4 | A e a 2 | 37.853; 11.623; 16.6584 90; 90; 90 | 7329.1 | Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands. Dalton transactions (Cambridge, England : 2003), 2016, 45, 18346-18355 |
| 7118696 | CIF | C38 H51 Co N2 O | A e a 2 | 23.5831; 17.9998; 16.1483 90; 90; 90 | 6854.8 | Andjaba, John M.; Tye, Jesse W.; Yu, Pony; Pappas, Iraklis; Bradley, Christopher A. Cp*Co(IPr): synthesis and reactivity of an unsaturated Co(i) complex. Chemical communications (Cambridge, England), 2016, 52, 2469-2472 |
| 7236164 | CIF | C36 H32 Cl2 Cu N8 O8 | A e a 2 | 17.4049; 17.5945; 11.9876 90; 90; 90 | 3671 | Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand CrystEngComm, 2016, 18, 4733 |
| 7236177 | CIF | C64 H42 Cd3 N10 O13 | A e a 2 | 31.98; 7.904; 26.8 90; 90; 90 | 6774 | Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties CrystEngComm, 2016, 18, 7471 |
| 7702048 | CIF | C38 H44 N2 O2 | A e a 2 | 9.975; 30.06; 10.719 90; 90; 90 | 3214.1 | Kan, Chao; Ge, Jilei; Ma, Haiyan Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization. Dalton transactions (Cambridge, England : 2003), 2016, 45, 6682-6695 |
| 7702093 | CIF | C29.5 H34 Cl2 F2 N P Pt | A e a 2 | 18.2105; 17.9198; 17.5935 90; 90; 90 | 5741.26 | Shaw, Paul A.; Phillips, Jessica M.; Clarkson, Guy J.; Rourke, Jonathan P. Trapping five-coordinate platinum(iv) intermediates. Dalton transactions (Cambridge, England : 2003), 2016, 45, 11397-11406 |
| 1553241 | CIF | C49 H34 Cl2 | A e m 2 | 13.3249; 26.5982; 10.0862 90; 90; 90 | 3574.7 | Sisto, Thomas J.; Zakharov, Lev N.; White, Brittany M.; Jasti, Ramesh Towards pi-extended cycloparaphenylenes as seeds for CNT growth: investigating strain relieving ring-openings and rearrangements. Chemical science, 2016, 7, 3681-3688 |
| 4349009 | CIF | C2 H7 N O0 S8 Sb4 | A m a 2 | 10.0371; 26.6752; 5.9349 90; 90; 90 | 1589.02 | Nie, Lina; Zhang, Yu; Xiong, Wei-Wei; Lim, Teik-Thye; Xu, Rong; Yan, Qingyu; Zhang, Qichun A surfactant-thermal method to prepare crystalline thioantimonate for high-performance lithium-ion batteries Inorganic Chemistry Frontiers, 2016, 3, 111 |
| 7039820 | CIF | Ga6 Pb5 S15 Zn | A m a 2 | 22.232; 17.933; 6.225 90; 90; 90 | 2481.8 | Duan, Rui-Huan; Yu, Ju-Song; Lin, Hua; Zheng, Yu-Jun; Zhao, Hua-Jun; Huang-Fu, Shang-Xiong; Khan, Muhammad Ali; Chen, Ling; Wu, Li-Ming Pb5Ga6ZnS15: a noncentrosymmetric framework with chains of T2-supertetrahedra. Dalton transactions (Cambridge, England : 2003), 2016, 45, 12288-12291 |
| 7040604 | CIF | B6 K O13 U | A m a 2 | 32.347; 6.4311; 11.143 90; 90; 90 | 2318 | Xu, Xiaomei; Liu, Zhiyong; Yang, Shitong; Chen, Lanhua; Diwu, Juan; Alekseev, Evgeny V.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao Potassium uranyl borate 3D framework compound resulted from temperature directed hydroborate condensation: structure, spectroscopy, and dissolution studies. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15464-15472 |
| 7037657 | CIF | C22 H18.4 Br1.6 N2 O8 Zn2 | A m m m | 9.628; 12.759; 17.572 90; 90; 90 | 2158.61 | Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D. Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 4316-4326 |
| 7037658 | CIF | C22 H18.3 Br1.7 N2 O8 Zn2 | A m m m | 9.623; 12.858; 17.48 90; 90; 90 | 2162.84 | Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D. Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 4316-4326 |
| 7037663 | CIF | C22 H18.48 Br1.52 N2 O8 Zn2 | A m m m | 9.6342; 16.488; 14.229 90; 90; 90 | 2260.3 | Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D. Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study. Dalton transactions (Cambridge, England : 2003), 2016, 45, 4316-4326 |
| 1532467 | CIF | C11 H7 F2 N3 O3 S | C 1 2 1 | 26.261; 5.162; 9.7804 90; 111.188; 90 | 1236.2 | Zhang, Huatang; Liu, Ruochuan; Liu, Jie; Li, Lin; Wang, Ping; Yao, Shao Q.; Xu, Zhengtao; Sun, Hongyan A minimalist fluorescent probe for differentiating Cys, Hcy and GSH in live cells Chem. Sci., 2016, 7, 256 |
| 1540532 | CIF | C47 H65 N O5 | C 1 2 1 | 35.188; 7.4837; 16.526 90; 98.87; 90 | 4299.9 | Peng, Jing; Chen, Chao; Xi, Chanjuan β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst Chem. Sci., 2016, 7, 1383 |
| 1540693 | CIF | C39 H45 Cl9 N6 O6 | C 1 2 1 | 19.477; 24.208; 13.2882 90; 131.418; 90 | 4698.4 | Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol. Organic letters, 2016, 18, 12-15 |
| 1540694 | CIF | C39 H45 Cl9 N6 O6 | C 1 2 1 | 19.47; 24.1563; 13.2943 90; 131.46; 90 | 4685.8 | Kieryk, Przemysław; Janczak, Jan; Panek, Jarosław; Miklitz, Marcin; Lisowski, Jerzy Chiral 2 + 3 Keto-Enamine Pseudocyclophanes Derived from 1,3,5-Triformylphloroglucinol. Organic letters, 2016, 18, 12-15 |
| 1541930 | CIF | C18 H92 N18 Ni3 O52 Sb6 V15 | C 1 2 1 | 18.2404; 22.7636; 14.3542 90; 126.449; 90 | 4794.2 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1541931 | CIF | C18 H90 Co3 N18 O51 Sb6 V15 | C 1 2 1 | 18.2302; 22.6142; 14.4067 90; 126.36; 90 | 4783 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1541932 | CIF | C18 H90 Fe3 N18 O51 Sb6 V15 | C 1 2 1 | 18.1991; 22.626; 14.3614 90; 126.193; 90 | 4772.5 | Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates Chem. Sci., 2016, 7, 2684 |
| 1542556 | CIF | C132.77 H131.15 I12 N24 O15.14 Zn6 | C 1 2 1 | 36.3783; 14.6755; 31.2278 90; 103.184; 90 | 16232.2 | Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto Structure determination of microbial metabolites by the crystalline sponge method Chem. Sci., 2016, 7, 3910 |
| 1542557 | CIF | C134.29 H138.92 I12 N24 O8.41 Zn6 | C 1 2 1 | 34.7707; 14.8406; 31.2152 90; 102.601; 90 | 15719.6 | Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto Structure determination of microbial metabolites by the crystalline sponge method Chem. Sci., 2016, 7, 3910 |
| 1542617 | CIF | C9 H10 N3 O5 | C 1 2 1 | 15.791; 5.0056; 16.133 90; 122.52; 90 | 1075.3 | Dixit, Manish Kumar; Pandey, Vinay Kumar; Dubey, Mrigendra Alkali base triggered intramolecular charge transfer metallogels based on symmetrical A-π-D-chiral-D-π-A type ligands. Soft matter, 2016, 12, 3622-3630 |
| 1542620 | CIF | C27 H43 O5.5 | C 1 2 1 | 11.4484; 18.1806; 25.8417 90; 98.082; 90 | 5325.2 | Liu, Zhaoming; Chen, Yan; Chen, Senhua; Liu, Yayue; Lu, Yongjun; Chen, Dongni; Lin, Yongcheng; Huang, Xishan; She, Zhigang Aspterpenacids A and B, Two Sesterterpenoids from a Mangrove Endophytic Fungus Aspergillus terreus H010. Organic letters, 2016, 18, 1406-1409 |
| 1542683 | CIF | C36 H36 Br N2 O4.5 S | C 1 2 1 | 27.2716; 10.7113; 11.2422 90; 90.5644; 90 | 3283.85 | Wang, Shoulei; Rodriguez-Escrich, Carles; Pericàs, Miquel A H-Bond-Directing Organocatalyst for Enantioselective [4 + 2] Cycloadditions via Dienamine Catalysis. Organic letters, 2016, 18, 556-559 |
| 1543025 | CIF | C19 H16 O4 | C 1 2 1 | 13.4613; 9.1617; 23.4678 90; 93.249; 90 | 2889.6 | Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids. Organic letters, 2016, 18, 1880-1883 |
| 1543378 | CIF | C65 H58 Cl2 O4 P4 | C 1 2 1 | 21.1345; 7.5878; 19.4577 90; 113.067; 90 | 2870.8 | Bayardon, Jérôme; Rousselin, Yoann; Jugé, Sylvain Designing P-Chirogenic 1,2-Diphosphinobenzenes at Both P-Centers Using P(III)-Phosphinites Organic Letters, 2016 |
| 1543432 | CIF | C21 H17 N3 O3 S | C 1 2 1 | 18.9522; 12.8653; 33.3636 90; 96.738; 90 | 8078.7 | Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst Chem. Sci., 2016, 7, 6060 |
| 1543712 | CIF | C89 H98 Cl2 N8 O8 P2 S2 | C 1 2 1 | 48.8875; 6.1721; 13.7803 90; 103.831; 90 | 4037.5 | McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A. A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis Chem. Sci., 2016, 7, 6674 |
| 1543787 | CIF | C26.25 H28.5 Cl0.5 F7 N3 O S | C 1 2 1 | 19.7969; 12.4055; 14.0366 90; 122.117; 90 | 2919.7 | Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N. Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity. Organic letters, 2016, 18, 3214-3217 |
| 1543789 | CIF | C29 H36 F6 N3 O S | C 1 2 1 | 19.631; 12.4696; 14.2862 90; 122.586; 90 | 2946.6 | Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N. Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity. Organic letters, 2016, 18, 3214-3217 |
| 1543799 | CIF | C26 H28 N4 O6 | C 1 2 1 | 21.15; 4.978; 24.55 90; 104.86; 90 | 2498 | Kashinath, K.; Jachak, Gorakhnath R.; Athawale, Paresh R.; Marelli, Udaya Kiran; Gonnade, Rajesh G.; Reddy, D. Srinivasa Total Synthesis of the Marine Natural Product Solomonamide B Necessitates Stereochemical Revision. Organic letters, 2016, 18, 3178-3181 |
| 1543800 | CIF | C30 H38 N4 O7 | C 1 2 1 | 28.205; 5.7857; 17.974 90; 91.077; 90 | 2932.6 | Kashinath, K.; Jachak, Gorakhnath R.; Athawale, Paresh R.; Marelli, Udaya Kiran; Gonnade, Rajesh G.; Reddy, D. Srinivasa Total Synthesis of the Marine Natural Product Solomonamide B Necessitates Stereochemical Revision. Organic letters, 2016, 18, 3178-3181 |
| 1543861 | CIF | C4 H9 N O2 | C 1 2 1 | 9.6233; 5.2274; 22.877 90; 100.764; 90 | 1130.6 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543866 | CIF | C5 H11 N O2 | C 1 2 1 | 9.589; 5.2054; 14.698 90; 104.77; 90 | 709.4 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543867 | CIF | C6 H13 N O2 | C 1 2 1 | 28.516; 5.2346; 32.233 90; 116.25; 90 | 4315.2 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543868 | CIF | C6 H13 N O2 | C 1 2 1 | 9.5327; 5.2545; 14.959 90; 97.628; 90 | 742.66 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543869 | CIF | C6 H13 N O2 | C 1 2 1 | 9.5633; 5.2287; 15.674 90; 93.695; 90 | 782.1 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543870 | CIF | C6 H13 N O2 | C 1 2 1 | 9.6033; 5.2223; 15.983 90; 90.916; 90 | 801.5 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1543871 | CIF | C6 H13 N O2 | C 1 2 1 | 9.648; 5.252; 16.561 90; 103.11; 90 | 817.3 | Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ, 2016, 3 |
| 1544172 | CIF | C19 H26 O2 | C 1 2 1 | 28.082; 9.2623; 12.2258 90; 99.923; 90 | 3132.4 | Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F. Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens. Organic & biomolecular chemistry, 2016, 14, 9790-9805 |
| 1544723 | CIF | C39 H46.5 O12.25 | C 1 2 1 | 41.529; 8.6149; 11.037 90; 100.788; 90 | 3879 | Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity. Journal of natural products, 2016, 79, 2873 |
| 1544949 | CIF | C12 H12.5 O4.25 | C 1 2 1 | 24.87; 6.6662; 13.8578 90; 107.661; 90 | 2189.18 | Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity. Organic letters, 2016 |
| 1544950 | CIF | C64 H84 O14 | C 1 2 1 | 24.2191; 14.0289; 18.017 90; 103.396; 90 | 5955.03 | Zhao, Huan; Chen, Guo-Dong; Zou, Jian; He, Rong-Rong; Qin, Sheng-Ying; Hu, Dan; Li, Guo-Qiang; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao Dimericbiscognienyne A: A Meroterpenoid Dimer from Biscogniauxia sp. with New Skeleton and Its Activity. Organic letters, 2016 |
| 1553250 | CIF | C23 H31 F N3 O10 P | C 1 2 1 | 30.024; 7.0591; 13.29 90; 101.32; 90 | 2761.9 | Peng, Youmei; Yu, Wenquan; Li, Ertong; Kang, Jinfeng; Wang, Yafeng; Yang, Qinghua; Liu, Bingjie; Zhang, Jingmin; Li, Longyu; Wu, Jie; Jiang, Jinhua; Wang, Qingduan; Chang, Junbiao Discovery of an Orally Active and Liver-Targeted Prodrug of 5-Fluoro-2'-Deoxyuridine for the Treatment of Hepatocellular Carcinoma. Journal of medicinal chemistry, 2016, 59, 3661-3670 |
| 1553306 | CIF | C28 H39 Cl O4 | C 1 2 1 | 29.0981; 8.0421; 11.3912 90; 104.315; 90 | 2582.9 | Olivier, Wesley J.; Kilah, Nathan L.; Horne, James; Bissember, Alex C.; Smith, Jason A. ent-Labdane Diterpenoids from Dodonaea viscosa. Journal of natural products, 2016, 79, 3117-3126 |
| 1553493 | CIF | C29 H40 O5 Si | C 1 2 1 | 27.836; 7.8125; 14.1759 90; 92.711; 90 | 3079.4 | Pérez-Estrada, S.; Sayar, N.; Granja, J. R. Towards taxane analogues synthesis by dienyne ring closing metathesis Organic Chemistry Frontiers, 2016, 3, 1331 |
| 1554070 | CIF | C12 H29.99 N4 O5 | C 1 2 1 | 9.5309; 5.21728; 17.6011 90; 101.078; 90 | 858.91 | Williams, P. Andrew; Hughes, Colan E.; Martin, Jean; Courvoisier, Emilie; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M. Understanding the Solid-State Hydration Behavior of a Common Amino Acid: Identification, Structural Characterization, and Hydration/Dehydration Processes of New Hydrate Phases of l-Lysine The Journal of Physical Chemistry C, 2016, 120, 9385 |
| 1555543 | CIF | C22 H32 O4 | C 1 2 1 | 18.2916; 8.7712; 12.993 90; 103.232; 90 | 2029.24 | Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus. Organic letters, 2016, 18, 2166-2169 |
| 1555630 | CIF | C28 H40 O9 | C 1 2 1 | 26.073; 7.8003; 29.094 90; 91.171; 90 | 5916 | Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy. Organic letters, 2016, 18, 3948-3951 |
| 1555694 | CIF | C16 H13 N O2 | C 1 2 1 | 32.3; 4.861; 20.038 90; 126.539; 90 | 2528 | Feng, Minghao; Tang, Bingqing; Xu, Hong-Xi; Jiang, Xuefeng Collective Synthesis of Phenanthridinone through C-H Activation Involving a Pd-Catalyzed Aryne Multicomponent Reaction. Organic letters, 2016, 18, 4352-4355 |
| 1555764 | CIF | C17 H18 N O6 | C 1 2 1 | 20.9111; 10.4665; 15.9414 90; 105.059; 90 | 3369.21 | Qiao, Chuang; Zhang, Wen; Han, Jing-Chun; Li, Chuang-Chuang Catalytic Enantioselective Total Synthesis of Hypocrolide A. Organic letters, 2016, 18, 4932-4935 |
| 1555885 | CIF | C11 H13 Br O3 | C 1 2 1 | 19.301; 5.7434; 12.35 90; 120.282; 90 | 1182.2 | Hou, Chuan-Jin; Hu, Xiang-Ping Sterically Hindered Chiral Ferrocenyl P,N,N-Ligands for Highly Diastereo-/Enantioselective Ir-Catalyzed Hydrogenation of α-Alkyl-β-ketoesters via Dynamic Kinetic Resolution. Organic letters, 2016, 18, 5592-5595 |
| 1555967 | CIF | C21 H22 F2 N2 O7 | C 1 2 1 | 13.014; 9.45; 18.211 90; 98.828; 90 | 2213.1 | Evans, Christopher E.; Matarlo, Joe S.; Tonge, Peter J.; Tan, Derek S. Stereoselective Synthesis, Docking, and Biological Evaluation of Difluoroindanediol-Based MenE Inhibitors as Antibiotics. Organic letters, 2016, 18, 6384-6387 |
| 1561407 | CIF | C36 H31 Cd2.5 N5 O16.5 | C 1 2 1 | 25.6433; 13.3904; 15.1209 90; 92.753; 90 | 5186.1 | Xu, Zhong-Xuan; Ao, Ke-Hou; Zhang, Jian A pair of novel Cd(II) enantiomers based on lactate derivatives: Synthesis, crystal structures and properties Journal of Solid State Chemistry, 2016, 241, 105-109 |
| 1561408 | CIF | C36 H31 Cd2.5 N5 O16.5 | C 1 2 1 | 25.7374; 13.3941; 15.1777 90; 92.727; 90 | 5226.27 | Xu, Zhong-Xuan; Ao, Ke-Hou; Zhang, Jian A pair of novel Cd(II) enantiomers based on lactate derivatives: Synthesis, crystal structures and properties Journal of Solid State Chemistry, 2016, 241, 105-109 |
| 2020318 | CIF HKL | C10 H19.4 N2 Na O10.7 P | C 1 2 1 | 32.936; 19.718; 21.569 90; 112.18; 90 | 12971 | Ślepokura, Katarzyna Anna 3':5'-Cyclic nucleotides: two sodium salts of cdTMP Acta Crystallographica Section C, 2016, 72, 35-47 |
| 2020443 | CIF HKL Paper | C90 H128 Ca2 N12 O26 S4 | C 1 2 1 | 32.1; 10.56; 15.8 90; 110.7; 90 | 5010.1 | Cong, Hengjiang Crystal structure and bonding analysis of the first dinuclear calcium(II)‒proton-pump inhibitor (PPI) `butterfly molecule': a combined microcrystal synchrotron and DFT study Acta Crystallographica Section C, 2016, 72, 326-336 |
| 2020481 | CIF HKL Paper | C16 H16 N2 O6 S | C 1 2 1 | 21.26; 5.7264; 14.2762 90; 103.456; 90 | 1690.3 | Badour, Alec R.; Wisniewski, John A.; Mohanty, Dillip K.; Squattrito, Philip J. Two <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents Acta Crystallographica Section C, 2016, 72, 405-410 |
| 2020515 | CIF Paper | C30 H52 O4 | C 1 2 1 | 23.908; 7.4853; 15.363 90; 91.89; 90 | 2747.8 | Xu, Yang-Rong; Yang, Jing-Jing; Liu, Juan; Hou, Gui-Ge; Meng, Qing-Guo Synthesis and crystal structures of C24-epimeric 20(<i>R</i>)-ocotillol-type saponins Acta Crystallographica Section C, 2016, 72 |
| 2020529 | CIF HKL Paper | C9 H20 N2 O4 S | C 1 2 1 | 29.1721; 4.7784; 9.8551 90; 103.145; 90 | 1337.77 | Görbitz, Carl Henrik; Wragg, David S.; Bakke, Ingrid Marie Bergh; Fleischer, Christian; Grønnevik, Gaute; Mykland, Maria; Park, Yoomin; Trovik, Kristian Wiedicke; Serigstad, Halvard; Sundsli, Bård Edgar Vestheim A phase transition from monoclinic <i>C</i>2 with <i>Z</i>' = 1 to triclinic <i>P</i>1 with <i>Z</i>' = 4 for the quasiracemate <small>L</small>-2-aminobutyric acid‒<small>D</small>-methionine (1/1) Acta Crystallographica Section C, 2016, 72, 536-543 |
| 2241560 | CIF HKL Paper | C24 H26 N2 O2 S | C 1 2 1 | 25.3917; 5.9488; 7.5623 90; 97.174; 90 | 1133.34 | Hernández-Téllez, Guadalupe; Bernès, Sylvain; Mendoza, Angel; Ríos-Merino, Francisco Javier; Moreno, Gloria E.; Portillo, Oscar; Gutiérrez, René Crystal structures of four chiral imine-substituted thiophene derivatives Acta Crystallographica Section E, 2016, 72, 350-354 |
| 2241717 | CIF HKL Paper | Ca2 H8 Mn2 O17 Si4 | C 1 2 1 | 9.036; 6.1683; 11.9601 90; 91.433; 90 | 666.41 | Fendrich, Kim V.; Downs, Robert T.; Origlieri, Marcus J. Redetermination of ruizite, Ca~2~Mn^3+^~2~[Si~4~O~11~(OH)~2~](OH)~2~·2H~2~O Acta Crystallographica Section E, 2016, 72, 959-963 |
| 2241873 | CIF HKL Paper | H2 O14 Sr5 Te4 | C 1 2 1 | 16.0785; 5.7927; 8.9262 90; 107.542; 90 | 792.71 | Weil, Matthias; Shirkhanlou, Mahdi Crystal structure of Sr~5~Te~4~O~12~(OH)~2~, the first basic strontium oxotellurate(IV) Acta Crystallographica Section E, 2016, 72, 1532-1535 |
| 4003296 | CIF | C29.33 H26.67 Cu1.33 N5.33 O8 S2.67 | C 1 2 1 | 22.28; 22.2; 11.198 90; 90.931; 90 | 5538 | Zhang, Guiyang; Wei, Guangfeng; Liu, Zhipan; Oliver, Scott R. J.; Fei, Honghan A Robust Sulfonate-Based Metal‒Organic Framework with Permanent Porosity for Efficient CO2 Capture and Conversion Chemistry of Materials, 2016, 28, 6276 |
| 4031867 | CIF | C28 H34 N6 O4 | C 1 2 1 | 26.355; 5.4089; 14.346 90; 136.39; 90 | 1410.6 | Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S. A Brønsted Acid-Amino Acid as a Synergistic Catalyst for Asymmetric List-Lerner-Barbas Aldol Reactions. The Journal of organic chemistry, 2016, 81, 2405-2419 |
| 4031972 | CIF | C24 H25 Cl N2 O4 | C 1 2 1 | 21.203; 5.8478; 20.613 90; 118.361; 90 | 2249.1 | Liu, Hua-Chao; Tao, Hai-Yan; Cong, Hengjiang; Wang, Chun-Jiang Silver(I)-Catalyzed Atroposelective Desymmetrization of N-Arylmaleimide via 1,3-Dipolar Cycloaddition of Azomethine Ylides: Access to Octahydropyrrolo[3,4-c]pyrrole Derivatives. The Journal of organic chemistry, 2016, 81, 3752-3760 |
| 4031997 | CIF | C28 H40 N2 O5 | C 1 2 1 | 33.3; 5.412; 15 90; 91.1; 90 | 2703 | Oliveira Udry, Guillermo A.; Repetto, Evangelina; Vega, Daniel R.; Varela, Oscar Synthesis of Enantiomeric Polyhydroxyalkylpyrrolidines from 1,3-Dipolar Cycloadducts. Evaluation as Inhibitors of a β-Galactofuranosidase. The Journal of organic chemistry, 2016, 81, 4179-4189 |
| 4032051 | CIF | C33 H25 Br O3 | C 1 2 1 | 28.515; 7.53; 15.194 90; 115.987; 90 | 2933 | Wang, Gang; Wang, Zhan-Yong; Niu, Shuang-Shuo; Rao, Yin; Cheng, Ying The Reaction of 2-Aroylvinylcinnamaldehydes with Aromatic Aldehydes by Dual Catalysis with a Chiral N-Heterocyclic Carbene and a Lewis Acid: Enantioselective Construction of Tetrahydroindeno[1,2-c]furan-1-ones. The Journal of organic chemistry, 2016 |
| 4036615 | CIF | C15 H26 O2 | C 1 2 1 | 33.1997; 9.6115; 13.8952 90; 99.7857; 90 | 4369.43 | Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G. Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol. The Journal of organic chemistry, 2016, 81, 2078-2086 |
| 4036695 | CIF | C25 H19 N O2 S | C 1 2 1 | 18.199; 7.93; 13.983 90; 102.149; 90 | 1972.8 | Liang, Zhi-Qin; Yi, Liang; Chen, Kun-Quan; Ye, Song N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation of Enals and Alkenyl Thiazolones: Enantioselective Synthesis of Thiazole-Fused ε-Lactones. The Journal of organic chemistry, 2016, 81, 4841-4846 |
| 4036722 | CIF | C36 H36 Cl2 N4 O4 | C 1 2 1 | 37.839; 25.19; 13.63 90; 101.307; 90 | 12739 | Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy. Organic chemistry frontiers : an international journal of organic chemistry, 2016, 3, 1716-1724 |
| 4036912 | CIF | C22 H30 O6 S | C 1 2 1 | 38.764; 6.8408; 8.3667 90; 91.32; 90 | 2218.1 | Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G. Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity. The Journal of organic chemistry, 2016, 81, 5963-5980 |
| 4037017 | CIF | C46 H63 Br O7 | C 1 2 1 | 30.463; 6.3598; 26.835 90; 112.063; 90 | 4818.3 | Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao Synthesis of Ocotillol-Type Ginsenosides. The Journal of organic chemistry, 2016, 81, 10279-10294 |
| 4037055 | CIF | C60.5 H57 Br Cl7 N6 Ni O4 P | C 1 2 1 | 15.6549; 18.478; 21.6785 90; 96.588; 90 | 6229.6 | Zhang, Haowei; Yang, Bing; Yang, Zhen; Lu, Hongjian; Li, Guigen Asymmetric Synthesis of Chiral α-Methyl-α,β-diamino Acid Derivatives via Group-Assisted Purification Chemistry Using N-Phosphonyl Imines and a Ni(II)-Complexed Alanine Schiff Base. The Journal of organic chemistry, 2016, 81, 7654-7661 |
| 4037104 | CIF | C31 H42 N2 O4.67 S | C 1 2 1 | 22.508; 15.8459; 26.254 90; 93.149; 90 | 9350 | Hato, Yoshio; Oonishi, Yoshihiro; Yamamoto, Yasunori; Nakajima, Kiyohiko; Sato, Yoshihiro Stereoselective Construction of Spiro-Fused Tricyclic Frameworks by Sequential Reaction of Enynes, Imines, and Diazoalkenes with Rh(I) and Rh(II) Catalysts. The Journal of organic chemistry, 2016, 81, 7847-7854 |
| 4037146 | CIF | C33 H30 N4 O3 | C 1 2 1 | 32.0719; 9.2396; 20.2331 90; 109.779; 90 | 5642 | Zhu, Qiu-Ning; Zhang, Yu-Chen; Xu, Meng-Meng; Sun, Xiao-Xue; Yang, Xue; Shi, Feng Enantioselective Construction of Tetrahydroquinolin-5-one-Based Spirooxindole Scaffold via an Organocatalytic Asymmetric Multicomponent [3 + 3] Cyclization. The Journal of organic chemistry, 2016, 81, 7898-7907 |
| 4086854 | CIF | C112 H162 Ag4 B2 F8 N8 | C 1 2 1 | 24.156; 12.24; 29.519 90; 104.219; 90 | 8460 | Tate, Brandon K.; Jordan, Abraham J.; Bacsa, John; Sadighi, Joseph P. Stable Mono- and Dinuclear Organosilver Complexes Organometallics, 2016, 36, 964 |
| 4088639 | CIF | C24 H28 Fe2 Si Sn | C 1 2 1 | 13.2479; 13.5201; 13.9401 90; 117.891; 90 | 2206.82 | Chen, Jiawei; Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, Frieder Heteroatom-Bridged ortho-Biferrocenes: Stereoselective Synthesis, Structural Features, and Electrochemical Properties Organometallics, 2016, 35, 1964 |
| 4089166 | CIF | C59.5 H47 Cl3 N4 Os P2 | C 1 2 1 | 20.47; 19.715; 24.976 90; 104.265; 90 | 9769 | Alabau, Roberto G.; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Palacios, Adrián U.; Tsai, Jui-Yi; Xia, Chuanjun Osmium(II) Complexes Containing a Dianionic CCCC-Donor Tetradentate Ligand Organometallics, 2016, 35, 3981 |
| 4125229 | CIF | C16 H18 O2 | C 1 2 1 | 21.7695; 5.8807; 10.4637 90; 97.282; 90 | 1328.76 | Zhou, Qi; Cobb, Kelsey M.; Tan, Tianyu; Watson, Mary P. Stereospecific Cross Couplings To Set Benzylic, All-Carbon Quaternary Stereocenters in High Enantiopurity. Journal of the American Chemical Society, 2016, 138, 12057-12060 |
| 4125265 | CIF | C29 H48 F I2 N3 O2 | C 1 2 1 | 24.2255; 8.1758; 16.4519 90; 99.107; 90 | 3217.43 | Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power. Journal of the American Chemical Society, 2016, 138, 13314 |
| 4125266 | CIF | C29 H48 Br2 F N3 O2 | C 1 2 1 | 23.8588; 8.1744; 16.1922 90; 96.692; 90 | 3136.47 | Pfeifer, Lukas; Engle, Keary M.; Pidgeon, George W.; Sparkes, Hazel A.; Thompson, Amber L.; Brown, John M.; Gouverneur, Véronique Hydrogen-Bonded Homoleptic Fluoride-Diarylurea Complexes: Structure, Reactivity, and Coordinating Power. Journal of the American Chemical Society, 2016, 138, 13314 |
| 4125294 | CIF | C45 H36 N4 O9 | C 1 2 1 | 32.045; 8.258; 14.0706 90; 97.5; 90 | 3691.6 | Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles. Journal of the American Chemical Society, 2016, 138, 14469-14480 |
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