Crystallography Open Database
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Searching year of publication is 2013
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1511926 | CIF | C23 H28 O5 | P 21 21 21 | 8.1747; 13.5827; 18.6882 90; 90; 90 | 2075.03 | Schwartz, Brett D.; Matoušová, Eliška; White, Richard; Banwell, Martin G.; Willis, Anthony C. A chemoenzymatic total synthesis of the protoilludane aryl ester (+)-armillarivin. Organic letters, 2013, 15, 1934-1937 |
| 1511927 | CIF | C24.5 H17 Br4 Cl N2 | P 1 21/c 1 | 11.2092; 44.486; 10.0656 90; 102.053; 90 | 4908.6 | Zhu, Yingguang; Shi, Yian Facile Cu(I)-Catalyzed Oxidative Coupling of Anilines to Azo Compounds and Hydrazines with Diaziridinone under Mild Conditions. Organic letters, 2013, 15, 1942-1945 |
| 1511928 | CIF | C41 H46 N2 O15 | P 1 21 1 | 10.5602; 10.4546; 37.7085 90; 95.612; 90 | 4143.2 | Masubuti, Hironori; Endo, Yasuhisa; Araya, Hiroshi; Uekusa, Hidehiro; Fujimoto, Yoshinori Establishment of Benzodioxazine Core Structure for Sarcodonin Class of Natural Products by X-ray Analysis Organic Letters, 2013, 15, 2076 |
| 1511929 | CIF | C24 H14 B F2 N3 | P 1 21/c 1 | 12.5133; 8.5931; 17.3356 90; 107.854; 90 | 1774.3 | Li, Weiling; Lin, Weiying; Wang, Jiaoliang; Guan, Xiaoyu Phenanthro[9,10-d]imidazole-quinoline Boron Difluoride Dyes with Solid-State Red Fluorescence. Organic letters, 2013, 15, 1768-1771 |
| 1511930 | CIF | C48 H26 B2 N6 O3 | P -1 | 13.009; 14.636; 22.764 78.187; 75.189; 79.83 | 4066 | Li, Weiling; Lin, Weiying; Wang, Jiaoliang; Guan, Xiaoyu Phenanthro[9,10-d]imidazole-quinoline Boron Difluoride Dyes with Solid-State Red Fluorescence. Organic letters, 2013, 15, 1768-1771 |
| 1511931 | CIF | C22 H15 N5 | P b c a | 16.283; 10.98; 19.477 90; 90; 90 | 3482 | Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun Isocyanide-based multicomponent reactions: catalyst-free stereoselective construction of polycyclic spiroindolines. Organic letters, 2013, 15, 1954-1957 |
| 1511932 | CIF | C21 H24 N2 O6 S | P 21 21 21 | 7.7284; 13.4661; 20.7179 90; 90; 90 | 2156.14 | Cheng, Tao; Meng, Sixuan; Huang, Yong A Highly Diastereoselective and Enantioselective Synthesis of Polysubstituted Pyrrolidines via an Organocatalytic Dynamic Kinetic Resolution Cascade. Organic letters, 2013, 15, 1958-1961 |
| 1511933 | CIF | C21 H21 Br O | P 1 21 1 | 8.7086; 10.3343; 10.3919 90; 113.168; 90 | 859.82 | Newcomb, Eric T.; Ferreira, Eric M. Highly enantiospecific platinum-catalyzed cycloisomerizations: synthesis of enantioenriched oxabicycloheptene derivatives. Organic letters, 2013, 15, 1772-1775 |
| 1511934 | CIF | C19 H14 O3 | P -1 | 8.7377; 8.896; 10.4794 71.552; 73.334; 69.603 | 709.85 | Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers. Organic letters, 2013, 15, 1962-1965 |
| 1511935 | CIF | C20 H18 O4 | P 1 21/n 1 | 7.3625; 14.6288; 15.1302 90; 102.119; 90 | 1593.27 | Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers. Organic letters, 2013, 15, 1962-1965 |
| 1511936 | CIF | C19 H14 O4 | P b c a | 11.8949; 8.9065; 28.0405 90; 90; 90 | 2970.7 | Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers. Organic letters, 2013, 15, 1962-1965 |
| 1511937 | CIF | C7 H7 Cl F3 N3 O | P b c a | 16.3661; 6.7959; 33.9544 90; 90; 90 | 3776.5 | Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines Organic Letters, 2013, 15, 2156 |
| 1511938 | CIF | C7 H4 Cl F3 N4 | P 1 21/n 1 | 9.531; 8.997; 11.626 90; 109.605; 90 | 939.1 | Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines Organic Letters, 2013, 15, 2156 |
| 1511939 | CIF | C5 H Cl2 N3 | P 1 21/n 1 | 10.9565; 5.7167; 16.595 90; 108.605; 90 | 985.11 | Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines Organic Letters, 2013, 15, 2156 |
| 1511940 | CIF | C20 H21 Cl N2 O2 | P n a 21 | 12.492; 12.566; 11.401 90; 90; 90 | 1789.7 | Soeta, Takahiro; Tabatake, Yuhta; Fujinami, Shuhei; Ukaji, Yutaka N-Heterocyclic Carbene Catalyzed Oxidative Coupling of Aldehydes with Carbodiimides under Aerobic Conditions: Efficient Synthesis ofN-Acylureas Organic Letters, 2013, 15, 2088 |
| 1511941 | CIF | C64 H31 Cl3 O12 | P 1 21 1 | 10.799; 17.2424; 13.5434 90; 104.44; 90 | 2442.13 | Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts Organic Letters, 2013, 15, 2164 |
| 1511942 | CIF | C45 H27 O8 | P 21 21 2 | 14.714; 22.636; 9.8621 90; 90; 90 | 3284.7 | Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts Organic Letters, 2013, 15, 2164 |
| 1511943 | CIF | C207 H78 O12 | I -4 | 22.459; 22.459; 25.656 90; 90; 90 | 12941 | Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts Organic Letters, 2013, 15, 2164 |
| 1511944 | CIF | C213 H24 O12 | P -4 | 23.187; 23.187; 26.056 90; 90; 90 | 14009 | Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts Organic Letters, 2013, 15, 2164 |
| 1511945 | CIF | C17 H15 N O | P 1 21/n 1 | 11.1536; 7.27; 16.7473 90; 101.08; 90 | 1332.67 | Gogoi, Anupal; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K. A Copper-Catalyzed Synthesis of 3-Aroylindoles via a sp(3) C-H Bond Activation Followed by C-C and C-O Bond Formation. Organic letters, 2013, 15, 1802-1805 |
| 1511946 | CIF | C27 H33 N3 O4 | P 1 21 1 | 10.8673; 8.4827; 13.5712 90; 108.588; 90 | 1185.79 | Cai, Shengxin; Luan, Yepeng; Kong, Xianglan; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Isolation and Photoinduced Conversion of 6-epi-Stephacidins fromAspergillus taichungensis Organic Letters, 2013, 15, 2168 |
| 1511947 | CIF | C27 H33 N3 O5 | P 21 21 21 | 9.1499; 14.4705; 18.7607 90; 90; 90 | 2484 | Cai, Shengxin; Luan, Yepeng; Kong, Xianglan; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Isolation and Photoinduced Conversion of 6-epi-Stephacidins fromAspergillus taichungensis Organic Letters, 2013, 15, 2168 |
| 1511948 | CIF | C151.5 H52 O2 S5 Si2 | P -1 | 9.962; 18.792; 25.713 108.23; 94.9; 91.61 | 4547.66 | Xiao, Zuo; Matsuo, Yutaka; Maruyama, Masashi; Nakamura, Eiichi Regioselective [2 + 2] Cycloaddition of a Fullerene Dimer with an Alkyne Triggered by Thermolysis of an Interfullerene C‒C Bond Organic Letters, 2013, 15, 2176 |
| 1511949 | CIF | C24 H36 O5 | P -1 | 9.975; 11.588; 11.86 63.519; 87.965; 70.57 | 1146.8 | Deng, Jun; Li, Ruofan; Luo, Yijie; Li, Jian; Zhou, Shupeng; Li, Yongjian; Hu, Jingyu; Li, Ang Divergent total synthesis of taiwaniaquinones a and f and taiwaniaquinols B and d. Organic letters, 2013, 15, 2022-2025 |
| 1511950 | CIF | C39 H30 P2 S3 | P 3 2 1 | 14.81; 14.81; 21.949 90; 90; 120 | 4169 | Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A. A Congestedin,in-Diphosphine Organic Letters, 2013, 15, 2179 |
| 1511951 | CIF | C41 H35 Cl7 O P2 S3 | P 1 21/n 1 | 13.157; 19.846; 16.443 90; 94.875; 90 | 4278 | Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A. A Congestedin,in-Diphosphine Organic Letters, 2013, 15, 2179 |
| 1511952 | CIF | C42 H39 O7.5 P2 S4.5 | P n a 21 | 17.7602; 10.5542; 21.7285 90; 90; 90 | 4072.9 | Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A. A Congestedin,in-Diphosphine Organic Letters, 2013, 15, 2179 |
| 1511953 | CIF | C30 H37 N O3 S | P 1 21/n 1 | 6.364; 37.836; 11.2212 90; 102.122; 90 | 2641.69 | Payne, Philippa R.; Garcia, Pierre; Eisenberger, Patrick; Yim, Jacky C.-H.; Schafer, Laurel L. Tantalum Catalyzed Hydroaminoalkylation for the Synthesis of α- and β-SubstitutedN-Heterocycles Organic Letters, 2013, 15, 2182 |
| 1511954 | CIF | C48 H49 N6 Ta | P -1 | 11.918; 12.068; 15.455 98.412; 108.485; 108.125 | 1928.2 | Payne, Philippa R.; Garcia, Pierre; Eisenberger, Patrick; Yim, Jacky C.-H.; Schafer, Laurel L. Tantalum Catalyzed Hydroaminoalkylation for the Synthesis of α- and β-SubstitutedN-Heterocycles Organic Letters, 2013, 15, 2182 |
| 1511955 | CIF | C28 H33 N O3 | P 1 21 1 | 12.8417; 6.6522; 14.8628 90; 109.357; 90 | 1197.89 | Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E. Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach. Organic letters, 2013, 15, 2042-2045 |
| 1511956 | CIF | C21 H26 Cl3 N O4 | P 1 21 1 | 11.1676; 8.2551; 12.4524 90; 90.8174; 90 | 1147.87 | Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E. Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach. Organic letters, 2013, 15, 2042-2045 |
| 1511957 | CIF | C20 H25 N O4 | P 1 21 1 | 10.3223; 6.9861; 12.9927 90; 101.708; 90 | 917.44 | Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E. Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach. Organic letters, 2013, 15, 2042-2045 |
| 1511958 | CIF | C13 H17 B F4 N2 | P b c a | 7.8204; 14.892; 23.179 90; 90; 90 | 2699.5 | Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S. Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group Organic Letters, 2013, 15, 2194 |
| 1511959 | CIF | C13 H17 Br N2 | P b c a | 7.4246; 15.5642; 21.89 90; 90; 90 | 2529.6 | Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S. Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group Organic Letters, 2013, 15, 2194 |
| 1511960 | CIF | C25 H27 Br N2 O5 | P 21 21 21 | 9.681; 12.7183; 19.2223 90; 90; 90 | 2366.76 | Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Lorkin, Thomas J. A.; Roberts, Paul M.; Thomson, James E. Asymmetric synthesis of (-)-martinellic Acid. Organic letters, 2013, 15, 2050-2053 |
| 1511961 | CIF | C23 H25 Br N2 O4 | P 21 21 21 | 6.8274; 11.2253; 27.9028 90; 90; 90 | 2138.46 | Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Lorkin, Thomas J. A.; Roberts, Paul M.; Thomson, James E. Asymmetric synthesis of (-)-martinellic Acid. Organic letters, 2013, 15, 2050-2053 |
| 1511962 | CIF | C20 H33 Br O3 | P 1 21 1 | 9.7546; 10.4476; 10.2161 90; 99.939; 90 | 1025.52 | Leung, Anna E.; Blair, Michael; Forsyth, Craig M.; Tuck, Kellie L. Synthesis of the Proposed Structures of Prevezol C Organic Letters, 2013, 15, 2198 |
| 1511963 | CIF | C20 H33 Br O3 | P 1 21 1 | 8.9991; 10.9067; 10.2688 90; 100.666; 90 | 990.47 | Leung, Anna E.; Blair, Michael; Forsyth, Craig M.; Tuck, Kellie L. Synthesis of the Proposed Structures of Prevezol C Organic Letters, 2013, 15, 2198 |
| 1511964 | CIF | C21 H20 O7 | P -1 | 9.075; 9.818; 11.417 76.443; 79.217; 69.002 | 917.25 | Asai, Teigo; Otsuki, Sae; Sakurai, Hiroaki; Yamashita, Kouwa; Ozeki, Tomoji; Oshima, Yoshiteru Benzophenones from an Endophytic Fungus, Graphiopsis chlorocephala, from Paeonia lactiflora Cultivated in the Presence of an NAD(+)-Dependent HDAC Inhibitor. Organic letters, 2013, 15, 2058-2061 |
| 1511965 | CIF | C16 H13 N O | C 1 2/c 1 | 22.7298; 7.4458; 14.682 90; 106.344; 90 | 2384.39 | Coffman, Keith C.; Palazzo, Teresa A.; Hartley, Timothy P.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J. Heterocycle-Heterocycle Strategies: (2-Nitrophenyl)isoxazole Precursors to 4-Aminoquinolines, 1H-Indoles, and Quinolin-4(1H)-ones. Organic letters, 2013, 15, 2062-2065 |
| 1511966 | CIF | C17 H15 N O2 | P -1 | 7.3367; 8.3229; 10.8176 94.29; 98.457; 96.954 | 645.67 | Coffman, Keith C.; Palazzo, Teresa A.; Hartley, Timothy P.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J. Heterocycle-Heterocycle Strategies: (2-Nitrophenyl)isoxazole Precursors to 4-Aminoquinolines, 1H-Indoles, and Quinolin-4(1H)-ones. Organic letters, 2013, 15, 2062-2065 |
| 1511967 | CIF | C17 H15 N O2 | P 1 21/c 1 | 7.395; 11.2941; 15.9223 90; 98.801; 90 | 1314.17 | Coffman, Keith C.; Palazzo, Teresa A.; Hartley, Timothy P.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J. Heterocycle-Heterocycle Strategies: (2-Nitrophenyl)isoxazole Precursors to 4-Aminoquinolines, 1H-Indoles, and Quinolin-4(1H)-ones. Organic letters, 2013, 15, 2062-2065 |
| 1511968 | CIF | C15 H12 | P -1 | 9.9191; 11.0491; 11.6448 70.716; 83.065; 67.371 | 1111.9 | Gandeepan, Parthasarathy; Cheng, Chien-Hong Pd-Catalyzed π-Chelation Assistedortho-C–H Activation and Annulation of Allylarenes with Internal Alkynes Organic Letters, 2013, 15, 2084 |
| 1511969 | CIF | C21 H32 N2 O4 | P 1 21/c 1 | 8.6457; 21.8252; 11.2484 90; 90.654; 90 | 2122.37 | Roy, O.; Caumes, C.; Esvan, Y.; Didierjean, C.; Faure, S.; Taillefumier, C. Thetert-Butyl Side Chain: A Powerful Means to Lock Peptoid Amide Bonds in the Cis Conformation Organic Letters, 2013, 15, 2246 |
| 1511970 | CIF | C22 H20 Br N O8 | P 1 21 1 | 9.065; 9.097; 13.423 90; 90.573; 90 | 1106.9 | Liu, Kang; Teng, Huai-Long; Yao, Lu; Tao, Hai-Yan; Wang, Chun-Jiang Silver-Catalyzed Enantioselective Desymmetrization: Facile Access to Spirolactone-Pyrrolidines Containing a Spiro Quaternary Stereogenic Center Organic Letters, 2013, 15, 2250 |
| 1511971 | CIF | C25 H24 Cl N O5 S | P 21 21 21 | 10.2524; 13.6597; 17.1559 90; 90; 90 | 2402.6 | Liu, Kang; Teng, Huai-Long; Yao, Lu; Tao, Hai-Yan; Wang, Chun-Jiang Silver-Catalyzed Enantioselective Desymmetrization: Facile Access to Spirolactone-Pyrrolidines Containing a Spiro Quaternary Stereogenic Center Organic Letters, 2013, 15, 2250 |
| 1511972 | CIF | C26 H22 N6 | P -1 | 5.7094; 8.0503; 12.0187 96.617; 102.096; 90.948 | 536.07 | Fan, Wei; Ye, Qin; Xu, Hai-Wei; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang Novel Double [3 + 2 + 1] Heteroannulation for Forming Unprecedented Dipyrazolo-Fused 2,6-Naphthyridines Organic Letters, 2013, 15, 2258 |
| 1511973 | CIF | C26 H21 Br N2 O2 | P 1 21 1 | 6.2078; 14.3876; 14.9337 90; 98.625; 90 | 1318.7 | Liu, Renrong; Zhang, Junliang Organocatalytic Michael Addition of Indoles to Isatylidene-3-acetaldehydes: Application to the Formal Total Synthesis of (−)-Chimonanthine Organic Letters, 2013, 15, 2266 |
| 1511974 | CIF | C17 H13 N O2 | P 1 21/c 1 | 7.2349; 18.662; 10.0294 90; 104.708; 90 | 1309.8 | Liu, Renrong; Zhang, Junliang Organocatalytic Michael Addition of Indoles to Isatylidene-3-acetaldehydes: Application to the Formal Total Synthesis of (−)-Chimonanthine Organic Letters, 2013, 15, 2266 |
| 1511975 | CIF | C20 H22 O | P 1 21 1 | 7.6708; 8.4422; 12.7475 90; 105.477; 90 | 795.57 | Fujihara, Tetsuaki; Tatsumi, Kenta; Terao, Jun; Tsuji, Yasushi Palladium-Catalyzed Formal Hydroacylation of Allenes Employing Acid Chlorides and Hydrosilanes Organic Letters, 2013, 15, 2286 |
| 1511977 | CIF | C21 H25 F N O2.5 | C 1 2/c 1 | 21.457; 5.787; 29.727 90; 98.372; 90 | 3652 | Li, Yan; Wang, Xia; Zhang, Jinming; Deuther-Conrad, Winnie; Xie, Fang; Zhang, Xiaojun; Liu, Jian; Qiao, Jinping; Cui, Mengchao; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei Synthesis and evaluation of novel (18)F-labeled spirocyclic piperidine derivatives as σ1 receptor ligands for positron emission tomography imaging. Journal of medicinal chemistry, 2013, 56, 3478-3491 |
| 1511978 | CIF | C11 H15 N O2 | P -1 | 7.1242; 8.2157; 9.3814 94.357; 107.054; 96.473 | 518.16 | Jana, Sankar; Dalapati, Sasanka; Guchhait, Nikhil Excited State Intramolecular Charge Transfer Suppressed Proton Transfer Process in 4-(Diethylamino)-2-hydroxybenzaldehyde. The journal of physical chemistry. A, 2013, 117, 4367-4376 |
| 1511979 | CIF | C19 H18 N2 O | P n a 21 | 15.399; 10.82; 9.613 90; 90; 90 | 1601.7 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
| 1511980 | CIF | C19 H18 N2 O | P n a 21 | 15.393; 10.798; 9.5855 90; 90; 90 | 1593.2 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
| 1511981 | CIF | C19 H18 N2 O | P n a 21 | 15.3711; 10.7478; 9.5826 90; 90; 90 | 1583.1 | Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations The Journal of Physical Chemistry C, 2013, 117, 9416 |
| 1511982 | CIF | C48 H43 Cl O8 P2 Pd | P 1 21/n 1 | 12.6057; 13.8157; 25.128 90; 99.242; 90 | 4319.4 | Barquera-Lozada, José Enrique; Obenhuber, Andreas; Hauf, Christoph; Scherer, Wolfgang On the chemical shifts of agostic protons. The journal of physical chemistry. A, 2013, 117, 4304-4315 |
| 1511983 | CIF | C3 H4 N2 | P n a 21 | 7.054; 12.84; 8.232 90; 90; 90 | 745.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511984 | CIF | C3 H4 N2 | P n a 21 | 6.971; 12.783; 8.247 90; 90; 90 | 734.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral–Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511985 | CIF | C3 H4 N2 | P n a 21 | 6.8805; 12.6682; 8.209 90; 90; 90 | 715.5 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral–Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511986 | CIF | C3 H4 N2 | P n a b | 6.749; 12.599; 8.191 90; 90; 90 | 696.5 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511987 | CIF | C3 H4 N2 | P n a b | 6.6851; 12.492; 8.146 90; 90; 90 | 680.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511988 | CIF | C3 H4 N2 | P n a b | 6.612; 12.385; 8.099 90; 90; 90 | 663.2 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511989 | CIF | C3 H4 N2 | P n a b | 6.45; 12.224; 8.0651 90; 90; 90 | 635.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511990 | CIF | C3 H4 N2 | P n a b | 6.392; 12.04; 8.052 90; 90; 90 | 619.7 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511991 | CIF | C3 H4 N2 | P n a b | 6.3573; 12.03; 7.984 90; 90; 90 | 610.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511992 | CIF | C3 H4 N2 | P n a b | 6.147; 11.648; 7.876 90; 90; 90 | 563.9 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511993 | CIF | C3 H4 N2 | P n a b | 6.0669; 11.554; 7.814 90; 90; 90 | 547.7 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511994 | CIF | C3 H4 N2 | P n a 21 | 6.8012; 12.5689; 8.2278 90; 90; 90 | 703.34 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511995 | CIF | C3 H4 N2 | P n a 21 | 6.8045; 12.5768; 8.2278 90; 90; 90 | 704.13 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511996 | CIF | C3 H4 N2 | P n a 21 | 6.8163; 12.5868; 8.2275 90; 90; 90 | 705.88 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511997 | CIF | C3 H4 N2 | P n a 21 | 6.8245; 12.5972; 8.2273 90; 90; 90 | 707.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511998 | CIF | C3 H4 N2 | P n a 21 | 6.8306; 12.6103; 8.2284 90; 90; 90 | 708.76 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1511999 | CIF | C3 H4 N2 | P n a 21 | 6.8442; 12.6228; 8.2283 90; 90; 90 | 710.87 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512000 | CIF | C3 H4 N2 | P n a 21 | 6.8508; 12.6373; 8.2299 90; 90; 90 | 712.51 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512001 | CIF | C3 H4 N2 | P n a 21 | 6.8614; 12.65; 8.2274 90; 90; 90 | 714.11 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512002 | CIF | C3 H4 N2 | P n a 21 | 6.8794; 12.6652; 8.2302 90; 90; 90 | 717.09 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512003 | CIF | C3 H4 N2 | P n a 21 | 6.8902; 12.6822; 8.2327 90; 90; 90 | 719.4 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512004 | CIF | C3 H4 N2 | P n a 21 | 6.903; 12.6968; 8.2321 90; 90; 90 | 721.51 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512005 | CIF | C3 H4 N2 | P n a 21 | 6.9155; 12.7076; 8.2322 90; 90; 90 | 723.44 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512006 | CIF | C3 H4 N2 | P n a 21 | 6.9234; 12.7234; 8.2337 90; 90; 90 | 725.3 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512007 | CIF | C3 H4 N2 | P n a 21 | 6.9397; 12.7371; 8.2303 90; 90; 90 | 727.49 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512008 | CIF | C3 H4 N2 | P n a 21 | 6.9533; 12.7634; 8.2281 90; 90; 90 | 730.23 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512009 | CIF | C3 H4 N2 | P n a 21 | 6.9692; 12.7818; 8.2245 90; 90; 90 | 732.63 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512010 | CIF | C3 H4 N2 | P n a 21 | 6.9782; 12.798; 8.2237 90; 90; 90 | 734.43 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512011 | CIF | C3 H4 N2 | P n a 21 | 6.9934; 12.8124; 8.2255 90; 90; 90 | 737.02 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512012 | CIF | C3 H4 N2 | P n a 21 | 7.01; 12.831; 8.2285 90; 90; 90 | 740.11 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512013 | CIF | C3 H4 N2 | P n a 21 | 7.0252; 12.8396; 8.2185 90; 90; 90 | 741.31 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512014 | CIF | C3 H4 N2 | P n a 21 | 7.0396; 12.8637; 8.22 90; 90; 90 | 744.36 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512015 | CIF | C3 H4 N2 | P n a 21 | 7.0814; 12.8818; 8.2503 90; 90; 90 | 752.6 | Sikora, Magdalena; Katrusiak, Andrzej Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole The Journal of Physical Chemistry C, 2013, 117, 10661 |
| 1512016 | CIF | C36 H30 Fe I2 N6 O3 | P 1 21/c 1 | 20.2533; 16.2649; 10.5531 90; 103.911; 90 | 3374.4 | Qiu, Yanxuan; Yang, Meng; Chen, Wenbin; Su, Yuzhi; Ouyang, Zhenjie; Yan, Hua; Gao, Feixian; Dong, Wen Crystal structures, UV spectra of solid iodide anionic water clusters I(-)(H2O)(1-4), and electrochemical reaction of I(-)(H2O)(1-4) →I· + e(-)(H2O)(1-4). The journal of physical chemistry. A, 2013, 117, 4051-4056 |
| 1512017 | CIF | C72 H66 I4 N12 O9 Zn2 | C 1 2/c 1 | 19.3322; 15.7956; 25.3442 90; 99.368; 90 | 7636 | Qiu, Yanxuan; Yang, Meng; Chen, Wenbin; Su, Yuzhi; Ouyang, Zhenjie; Yan, Hua; Gao, Feixian; Dong, Wen Crystal structures, UV spectra of solid iodide anionic water clusters I(-)(H2O)(1-4), and electrochemical reaction of I(-)(H2O)(1-4) →I· + e(-)(H2O)(1-4). The journal of physical chemistry. A, 2013, 117, 4051-4056 |
| 1512018 | CIF | C34 H52 Al N O4 | P -1 | 14.8694; 14.9782; 16.7758 102.749; 113.644; 93.72 | 3288.7 | Reisberg, Solomon H.; Hurley, Harry J.; Mathers, Robert T.; Tanski, Joseph M.; Getzler, Yutan D. Y. L. Lactide Cyclopolymerization Kinetics, X-ray Structure, and Solution Dynamics of (tBu-SalAmEE)Al and a Cautionary Tale Of Polymetalate Formation Macromolecules, 2013, 46, 3273 |
| 1512019 | CIF | C88 H138 Al4 N2 O8 | P 1 21/c 1 | 15.7323; 25.4667; 11.7586 90; 106.335; 90 | 4520.9 | Reisberg, Solomon H.; Hurley, Harry J.; Mathers, Robert T.; Tanski, Joseph M.; Getzler, Yutan D. Y. L. Lactide Cyclopolymerization Kinetics, X-ray Structure, and Solution Dynamics of (tBu-SalAmEE)Al and a Cautionary Tale Of Polymetalate Formation Macromolecules, 2013, 46, 3273 |
| 1512020 | CIF | C32 H50 Lu N3 O2 Si2 | P 1 21 1 | 16.701; 11.1116; 19.871 90; 102.454; 90 | 3600.8 | Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand Macromolecules, 2013, 46, 3257 |
| 1512021 | CIF | C76 H128 N6 O4 Si4 Tm2 | P 21 21 21 | 13.834; 15.388; 39.08 90; 90; 90 | 8319.3 | Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand Macromolecules, 2013, 46, 3257 |
| 1512022 | CIF | C32 H50 N3 O2 Sc Si2 | P 1 21 1 | 11.0086; 16.54; 19.816 90; 101.808; 90 | 3531.8 | Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand Macromolecules, 2013, 46, 3257 |
| 1512023 | CIF | C18 H18 N2 O2 | P 1 21 1 | 13.646; 8.3619; 14.658 90; 115.775; 90 | 1506.2 | Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii. Journal of natural products, 2013, 76, 957-964 |
| 1512024 | CIF | C21 H28 N2 O4 | P 21 21 21 | 7.3486; 15.0738; 16.674 90; 90; 90 | 1847 | Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii. Journal of natural products, 2013, 76, 957-964 |
| 1512025 | CIF | C20 H26 N2 O4 | P 21 21 21 | 8.0382; 14.5281; 15.2187 90; 90; 90 | 1777.24 | Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii. Journal of natural products, 2013, 76, 957-964 |
| 1512026 | CIF | C19 H24 N2 O2 | P 21 21 21 | 8.1326; 10.6116; 18.2366 90; 90; 90 | 1573.8 | Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii. Journal of natural products, 2013, 76, 957-964 |
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