Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1541965 | CIF | Al2 H4 O9 Si2 | C 1 | 5.14; 8.93; 7.37 91.8; 104.5; 90 | 327.337 | Drits, V.A.; Kashaev, A.A. An x-ray study of a single crystal of kaolinite Kristallografiya, 1960, 5, 224-227 |
| 1542076 | CIF | Fe0.25 H0.5 Na2 O11 Si4 Ti0.75 | I 4/m | 10.72; 10.72; 7.99 90; 90; 90 | 918.198 | Pyatenko, Yu.A.; Pudovkina, Z.V. Crystal structure of narsarsukite Kristallografiya, 1960, 5, 563-573 |
| 1542104 | CIF | Al2 Ba O8 Si2 | P 1 21/a 1 | 9.08; 9.58; 8.58 90; 90; 90 | 746.343 | Bakakin, V.V.; Belov, N.V. Crystal structure of paracelsian Kristallografiya, 1960, 5, 864-868 |
| 1542165 | CIF | Co H8 N2 O10 | P -1 | 5.516; 5.996; 7.228 102.38; 97.74; 120.16 | 193.395 | Ribar, B.; Herak, R.; Prelesnik, B.; Krstanovic, I.; Milinski, N. Crystal Structure of Cobalt Nitrate Tetrahydrate, Co (N O3)2 (H2 O) Univerzitet (Novi Sad), Prirodno-Matematicki Fakultet: Zbornik radova Prirodno-Matematickog Fakulteta.Ser. za biologijudat, 1975, 5, 65-82 |
| 1544685 | CIF | Ag2 S | P 1 21/c 1 | 4.231; 6.93; 9.526 90; 125.5; 90 | 227.391 | Sadanaga, R.; Sueno, S. X-ray study of the alpha-beta transition of Ag2S Mineralogical Journal, 1967, 5, 124-148 |
| 1545752 | CIF | C4 H14 F2 Ga3 N2 O12 P3 | P b c a | 10.075; 18.506; 16.06 90; 90; 90 | 2994.4 | Thierry Loiseau; Francis Taulelle; Gerard Ferey Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization Microporous Materials, 1996, 5, 365-379 |
| 1545753 | CIF | C5 H16 F2 Ga3 N2 O12 P3 | P b c a | 10.156; 18.672; 16.367 90; 90; 90 | 3104 | Thierry Loiseau; Francis Taulelle; Gerard Ferey Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization Microporous Materials, 1996, 5, 365-379 |
| 1547205 | CIF | C15 H22 Cl N O5 | P -1 | 7.5342; 9.1935; 12.8532 97.624; 93.34; 108.945 | 829.73 | Adamovich, S. N.; Mirskova, A. N.; Mirskov, R. G.; Schilde, Uwe Synthesis and Crystal Structure of 1,4,10,13-Tetraoxa-7,16-diazoniumcyclo- octadecane bis(4-chloro-2-methyl-phenoxyacetate) Chemistry Central Journal20115:23, 2011, 5, 23 |
| 1547213 | CIF | C16 H20 N12 O12 | P b c a | 12.7424; 17.4112; 21.0833 90; 90; 90 | 4677.6 | Gustavo Portalone Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil Chemistry Central Journal, 2011, 5, 51 |
| 1547214 | CIF | C8 H11 F N6 O7 | C 1 c 1 | 10.2066; 28.2758; 4.7187 90; 111.293; 90 | 1268.85 | Gustavo Portalone Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil Chemistry Central Journal, 2011, 5, 51 |
| 1547255 | CIF | C10 H14 O5 | P 21 21 21 | 8.106; 10.241; 12.952 90; 90; 90 | 1075.19 | Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E. A Cobalt Complex of a Microbial Arene Oxidation Product Chemistry Central Journal, 2011, 5, 80 |
| 1547256 | CIF | C16 H19 Co O4 | P 21 21 21 | 7.305; 8.665; 23.568 90; 90; 90 | 1491.8 | Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E. A Cobalt Complex of a Microbial Arene Oxidation Product Chemistry Central Journal, 2011, 5, 80 |
| 1547473 | CIF | C37 H51 N3 O4 Ru | P 1 21/n 1 | 16.0174; 10.8674; 20.309 90; 104.291; 90 | 3425.7 | Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H. Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands Chemical Science, 2014, 5, 4091-4098 |
| 1547474 | CIF | C37 H49 N3 O4 Ru | P -1 | 10.8243; 11.4812; 15.4419 74.516; 85.839; 64.889 | 1672.8 | Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H. Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands Chemical Science, 2014, 5, 4091-4098 |
| 1547475 | CIF | C37 H49 N3 O4 Ru | P -1 | 10.8191; 11.4795; 15.4551 74.51; 85.583; 64.732 | 1671.3 | Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H. Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands Chemical Science, 2014, 5, 4091-4098 |
| 1547476 | CIF | C35 H47 N3 O4 Ru | P 1 21/n 1 | 10.5222; 19.595; 15.8493 90; 99.34; 90 | 3224.5 | Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H. Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands Chemical Science, 2014, 5, 4091-4098 |
| 1547477 | CIF | C41 H61 N3 O5 Ru | P -1 | 10.5807; 11.4363; 18.2848 77.754; 78.1; 63.815 | 1924.23 | Bronner, Sarah M.; Herbert, Myles B.; Patel, Paresma R.; Marx, Vanessa M.; Grubbs, Robert H. Ru-based Z-selective metathesis catalysts with modified cyclometalated carbene ligands Chemical Science, 2014, 5, 4091-4098 |
| 1547478 | CIF | C9 H18 Fe2 N5 O3 S2 | P b c a | 14.24; 14.263; 14.821 90; 90; 90 | 3010 | Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y. Redox active iron nitrosyl units in proton reduction electrocatalysis Nature Communications, 2014, 5, 3684 |
| 1547481 | CIF | C68 H55 Ca F9 Mn3 N6 O20 S3 | P 1 21/c 1 | 13.5027; 19.1805; 27.433 90; 91.337; 90 | 7102.9 | Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299 |
| 1547482 | CIF | C64 H45 Ca F9 Mn3 N6 O21 S3 | P -1 | 14.7053; 14.7735; 18.5085 69.988; 72.802; 69.91 | 3475.2 | Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299 |
| 1547483 | CIF | C76 H65 Ca F6 Mn3 N6 O19 S2 | P 1 21/c 1 | 11.679; 27.0308; 25.7452 90; 93.682; 90 | 8110.8 | Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299 |
| 1547484 | CIF | C75 H57 Cl2 F9 Mn3 N6 O20 S3 Sr | P 1 21/n 1 | 16.0744; 26.0588; 20.2364 90; 105.055; 90 | 8185.7 | Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299 |
| 1547485 | CIF | C76 H65 F6 Mn3 N6 O19 S2 Sr | P 1 21/c 1 | 11.7071; 27.1019; 25.4494 90; 93.564; 90 | 8059.1 | Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299 |
| 1547486 | CIF | C67.4 H47.11 F9 Mn3 N7.7 O18 S3 Zn | P -1 | 14.3484; 14.3923; 18.5632 72.643; 73.273; 70.956 | 3380.7 | Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299 |
| 1547487 | CIF | C126 H90 F12 Mn6 N12 Na2 O31.74 S4 | P -1 | 13.5641; 15.0073; 16.813 102.848; 109.783; 93.581 | 3104.3 | Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299 |
| 1547488 | CIF | C72 H65 F9 Mn3 N6 O21 S3 Y | P 1 21/c 1 | 14.7253; 25.28; 23.717 90; 102.212; 90 | 8629 | Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters Nature Chemistry, 2013, 5, 293-299 |
| 1548112 | CIF Paper | C8 H8 Cd Cl2 N4 O2 | P 1 21/c 1 | 3.7833; 7.6139; 20.1473 90; 92.131; 90 | 579.96 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548113 | CIF | C8 H8 Br2 Cd N4 O2 | P 1 21/c 1 | 3.9043; 7.718; 20.6142 90; 92.442; 90 | 620.61 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548114 | CIF | C8 H8 Cd I2 N4 O2 | P 1 21/c 1 | 4.1497; 7.8783; 21.0091 90; 92.551; 90 | 686.16 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548115 | CIF | C8 H8 Br2 Cd N4 O2 | P 1 21/n 1 | 3.884; 23.164; 7.0359 90; 93.712; 90 | 631.68 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548116 | CIF | C8 H8 Cd I2 N4 O2 | P 1 21/c 1 | 4.0953; 7.8089; 21.7078 90; 92.307; 90 | 693.65 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548117 | CIF | C16 H12 Br2 Cd N4 O2 | I 1 2/a 1 | 18.259; 3.867; 24.2737 90; 95.491; 90 | 1706.04 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548118 | CIF | C16 H12 Cd I2 N4 O2 | I 1 2/a 1 | 19.7099; 6.8535; 13.631 90; 98.052; 90 | 1823.15 | Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara Building inorganic supramolecular architectures using principles adopted from the organic solid state IUCrJ, 2018, 5 |
| 1548296 | CIF | C12 H24 B2 O4 | P 1 21/a 1 | 10.165; 7.482; 10.278 90; 110.446; 90 | 732.4 | Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245 |
| 1548297 | CIF | C24 H34 B2 O2 | P 1 21/c 1 | 9.859; 18.123; 13.451 90; 110.728; 90 | 2247.8 | Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245 |
| 1548298 | CIF | C26 H34 B2 O4 | P 1 21/n 1 | 15.238; 10.705; 16.004 90; 107.762; 90 | 2486.2 | Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245 |
| 1548299 | CIF | C29 H43 B2 N O2 | P -1 | 9.278; 10.2; 16.057 71.907; 83.574; 68.113 | 1340.3 | Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245 |
| 1548300 | CIF | C34 H52 B2 N2 O2 | P 1 21/c 1 | 12.796; 18.047; 15.325 90; 110.858; 90 | 3307.1 | Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245 |
| 1548301 | CIF | C34 H52 B2 N2 O2 | P 1 21/n 1 | 13.923; 15.76; 15.026 90; 92.731; 90 | 3293 | Hiroki Asakawa; Ka-Ho Lee; Zhenyang Lin; Makoto Yamashita Facile scission of isonitrile carbon-nitrogen triple bond using a diborane(4) reagent Nature Communications, 2014, 5, 4245 |
| 1548310 | CIF | C8 H8 Cu F6 N4 Si | P 4/m m m | 6.9186; 6.9186; 7.9061 90; 90; 90 | 378.44 | Shekhah, Osama; Belmabkhout, Youssef; Chen, Zhijie; Guillerm, Vincent; Cairns, Amy; Adil, Karim; Eddaoudi, Mohamed Made-to-order metal-organic frameworks for trace carbon dioxide removal and air capture Nature Communications, 2014, 5, 4228 |
| 1548311 | CIF | C9 H56 K Mo10 N O42 S10 | P 63/m | 23.7146; 23.7146; 19.1834 90; 90; 120 | 9343 | Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715 |
| 1548312 | CIF | C26 H32 K10 Mo14 O80 S2 | P 1 21 1 | 11.2207; 22.4613; 16.9237 90; 105.662; 90 | 4106.9 | Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715 |
| 1548313 | CIF | C56 H236 K18 Mo60 N4 O261 S36 | P 1 21/m 1 | 20.8518; 28.0652; 32.415 90; 104.793; 90 | 18340.8 | Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715 |
| 1548314 | CIF | C36 H246 I K11.5 Mo48 N3 Na0.5 O220 S36 | P 1 21/n 1 | 26.0429; 29.3416; 47.0393 90; 90.04; 90 | 35944.6 | Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715 |
| 1548315 | CIF | C20 H126 K14 Mo34 O148 S24 | P b c m | 26.515; 44.264; 17.7362 90; 90; 90 | 20816 | Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715 |
| 1548316 | CIF | C61 H141 K8 Mo18 N7 O99 S18 | P 1 2/c 1 | 30.5759; 17.0735; 38.4463 90; 113.034; 90 | 18470.3 | Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine Nature Communications, 2014, 5, 3715 |
| 1548319 | CIF | C32.33 H61.67 Cl2 Mo N2 O2.33 P2 | R -3 :H | 36.2479; 36.2479; 17.0202 90; 90; 120 | 19366.9 | Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia Nature Communications, 2014, 5, 3737 |
| 1548320 | CIF | C24 H44.33 Cl Mo N2 P2 | P 61 2 2 | 16.3159; 16.3159; 19.6989 90; 90; 120 | 4541.5 | Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia Nature Communications, 2014, 5, 3737 |
| 1548321 | CIF | C24 H43 Cl F3 Mo N2 O3 P2 S | C 1 2/c 1 | 33.3044; 15.2043; 13.0074 90; 109.784; 90 | 6197.8 | Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia Nature Communications, 2014, 5, 3737 |
| 1548322 | CIF | C33 H57 Cl F3 Mo N3 O4 P2 S | P 1 21/c 1 | 16.4904; 16.7621; 16.772 90; 119.077; 90 | 4051.71 | Hiromasa Tanaka; Kazuya Arashiba; Shogo Kuriyama; Akira Sasada; Kazunari Nakajima; Kazunari Yoshizawa; Yoshiaki Nishibayashi Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia Nature Communications, 2014, 5, 3737 |
| 1548471 | CIF | Ba3 Br Fe S4 | P n m a | 12.343; 9.5901; 8.4468 90; 90; 90 | 999.85 | Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports, 2015, 5, 15910 |
| 1548472 | CIF | Ba3 Br Fe S4 | P n m a | 12.3636; 9.5974; 8.4596 90; 90; 90 | 1003.8 | Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports, 2015, 5, 15910 |
| 1548473 | CIF | Ba3 Br Fe S4 | P n m a | 12.4081; 9.6132; 8.4859 90; 90; 90 | 1012.21 | Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange Scientific Reports, 2015, 5, 15910 |
| 1548523 | CIF | C4 H12 Al3 F N O12.5 P3 | P -1 | 9.199; 9.202; 9.295 87.525; 79.027; 87.884 | 771.4 | Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports, 2015, 5, 14940 |
| 1548524 | CIF | C3 H12 Al3 F N O13 P3 | P -1 | 9.1231; 9.2411; 9.3426 86.769; 79.946; 87.846 | 774 | Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports, 2015, 5, 14940 |
| 1548525 | CIF | C5 H12.5 Al3 F N O12.25 P3 | P -1 | 9.18; 9.1957; 9.3606 86.532; 78.192; 87.739 | 771.76 | Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan Origin of the structure-directing effect resulting in identical topological open-framework materials Scientific Reports, 2015, 5, 14940 |
| 1548908 | CIF Paper | Al O4 P | R -3 :R | 9.609; 9.609; 9.609 94.46; 94.46; 94.46 | 878.7 | Tinti, Gemma; Fröjdh, Erik; van Genderen, Eric; Gruene, Tim; Schmitt, Bernd; de Winter, D. A. Matthijs; Weckhuysen, Bert M.; Abrahams, Jan Pieter Electron crystallography with the EIGER detector IUCrJ, 2018, 5, 190-199 |
| 1549161 | CIF Paper | C20 H24 N2 O10 Zn2 | P n n m | 7.4159; 19.318; 7.3457 90; 90; 90 | 1052.3 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549162 | CIF | C17 H18 N2 O5 Zn | P 1 21/c 1 | 8.2852; 10.4999; 21.684 90; 117.282; 90 | 1676.5 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549163 | CIF | C17 H17 N2 O4.25 Zn | P n n a | 8.3; 10.4; 19.74 90; 90; 90 | 1704 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549164 | CIF | C22 H24 N2 O8 Zn | C 1 2/c 1 | 18.0211; 5.8795; 21.7192 90; 113.89; 90 | 2104.1 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549165 | CIF | C17 H20 N2 O5 Zn | P 1 21/c 1 | 8.4434; 10.3811; 21.551 90; 115.928; 90 | 1698.8 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549166 | CIF | C22 H24 N3 O5 Zn | P 1 21/c 1 | 11.1832; 8.2422; 23.832 90; 99.143; 90 | 2168.8 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549167 | CIF | C34 H50 N4 O14 Zn | C 1 2/c 1 | 22.6008; 11.4154; 17.1552 90; 120.308; 90 | 3821.1 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549168 | CIF | C22 H22.5 N2.5 O4 Zn | C m c m | 9.8266; 22.0654; 22.1641 90; 90; 90 | 4805.8 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549169 | CIF | C22 H22.5 N2.5 O4 Zn | P b c n | 9.845; 22.082; 21.905 90; 90; 90 | 4762 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549170 | CIF | C38 H48 N4 O12 Zn | C 1 2/m 1 | 22.881; 6.8976; 14.1573 90; 117.532; 90 | 1981.3 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549171 | CIF | C38 H48 N4 O12 Zn | C 1 2/c 1 | 26.8028; 6.8933; 23.069 90; 110.021; 90 | 4004.6 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549172 | CIF | C19 H22.75 N2 O4.38 Zn | C 2 2 21 | 24.662; 37.18; 8.7826 90; 90; 90 | 8053.1 | Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V. Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers IUCrJ, 2018, 5 |
| 1549175 | CIF | C12 H8 S3 | P 1 21/n 1 | 43.822; 5.689; 48.331 90; 106.79; 90 | 11535 | Resel, Roland; Jones, Andrew O. F.; Schweicher, Guillaume; Fischer, Roland; Demitri, Nicola; Geerts, Yves Henri Polymorphism of terthiophene with surface confinement IUCrJ, 2018, 5 |
| 1549229 | CIF | C16 H21 N7 O3 S | P -1 | 10.8022; 13.9084; 14.6076 115.284; 109.088; 90.525 | 1846.65 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549230 | CIF | C18 H23 N7 O5 S | P 1 21/c 1 | 13.5226; 14.9966; 10.6958 90; 104.179; 90 | 2102.95 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549231 | CIF | C34 H44 N14 O6 S2 | P -1 | 11.0286; 13.7429; 14.9742 115.247; 109.951; 90.122 | 1900.25 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549232 | CIF | C35 H46 N14 O6 S2 | P -1 | 14.075; 14.8889; 19.635 86.408; 88.142; 71.702 | 3898.7 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549233 | CIF | C37 H50 N14 O6 S2 | P 1 21/n 1 | 15.0338; 11.5004; 24.396 90; 104.539; 90 | 4082.87 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549234 | CIF | C34 H39 N15 O4 S2 | P 1 21/n 1 | 14.8461; 12.3081; 21.285 90; 105.176; 90 | 3753.71 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549235 | CIF | C39 H46 N14 O3 S | P -1 | 11.2398; 13.2439; 15.4624 113.595; 103.527; 91.977 | 2029.46 | Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules IUCrJ, 2018, 5 |
| 1549262 | CIF | C24 H106 Ca Cu6 N6 O66 | P 63 | 17.8904; 17.8904; 12.7999 90; 90; 120 | 3547.9 | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes Materials Horizons, 2018, 5, 683 |
| 1549263 | CIF | C48.4 H80.2 Ca Cu6 N11 O37.6 | P 63 | 17.9504; 17.9504; 12.5603 90; 90; 120 | 3504.9 | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes Materials Horizons, 2018, 5, 683 |
| 1549264 | CIF | C42 H83 Ca Cu6 N9 O54 | P 63 | 17.9607; 17.9607; 12.6765 90; 90; 120 | 3541.4 | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes Materials Horizons, 2018, 5, 683 |
| 1549265 | CIF | C42 H89 Ca Cu6 N9 O51 | P 63 | 17.9035; 17.9035; 12.6421 90; 90; 120 | 3509.3 | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes Materials Horizons, 2018, 5, 683 |
| 1549266 | CIF | C37 H90 Ca Cl Cu6 N7 O50 | P 63 | 17.997; 17.997; 12.861 90; 90; 120 | 3607.5 | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes Materials Horizons, 2018, 5, 683 |
| 1549267 | CIF | C26 H15 N5 O | P -1 | 9.3241; 9.5329; 12.0593 83.218; 66.653; 80.098 | 967.99 | Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M. π–π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene IUCrJ, 2018, 5 |
| 1549268 | CIF | C26 H15 N5 O | P -1 | 9.2504; 9.4009; 11.9245 84.147; 67.347; 81.113 | 944.47 | Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M. π–π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene IUCrJ, 2018, 5 |
| 1549525 | CIF | C4 H6 Cl N3 O | P 1 21/n 1 | 8.1481; 6.8774; 10.9947 90; 95.97; 90 | 612.777 | Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ, 2018, 5 |
| 1549526 | CIF | C5 H7 Cl N5 O0.5 | P 1 2/n 1 | 8.6936; 4.8189; 17.6971 90; 93.526; 90 | 739.992 | Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ, 2018, 5 |
| 1549527 | CIF | C2.5 H3.5 Cl N2.5 O0.5 | P n m a | 13.5939; 6.4841; 9.86 90; 90; 90 | 869.1 | Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ, 2018, 5 |
| 1549598 | CIF Paper | Al4.857 O9.571 Si1.143 | P b a m | 7.5787; 7.6707; 2.8836 90; 90; 90 | 167.635 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549599 | CIF Paper | Al4.832 O9.584 Si1.168 | P b a m | 7.577; 7.6727; 2.8804 90; 90; 90 | 167.46 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549600 | CIF Paper | Al4.868 O9.566 Si1.132 | P b a m | 7.5768; 7.676; 2.8833 90; 90; 90 | 167.69 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549601 | CIF Paper | Al4.853 O9.574 Si1.147 | P b a m | 7.577; 7.6738; 2.8823 90; 90; 90 | 167.59 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549602 | CIF | C52 H24 F16 I4 N4 | P 1 21/c 1 | 13.0184; 9.7153; 19.986 90; 104.649; 90 | 2445.6 | Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R. Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization IUCrJ, 2018, 5 |
| 1549603 | CIF | C52 H24 F16 I4 N4 | P 1 21/c 1 | 12.9647; 10.2219; 19.519 90; 109.387; 90 | 2440.1 | Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R. Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization IUCrJ, 2018, 5 |
| 1549713 | CIF | C42 H46 Mn0.5 N6 O14 S2 | P -1 | 9.7187; 11.2496; 21.8708 88.401; 83.848; 64.446 | 2144.39 | Fidalgo-Marijuan, Arkaitz; Amayuelas, Eder; Barandika, Gotzone; Larrea, Edurne S.; Bazán, Begoña; Urtiaga, Miren Karmele; Iglesias, Marta; Arriortua, María Isabel Double role of metalloporphyrins in catalytic bioinspired supramolecular metal‒organic frameworks (SMOFs) IUCrJ, 2018, 5 |
| 1549880 | CIF | C17 H16 B Cd N8 O5 | P 1 21/c 1 | 9.2198; 14.0236; 15.7941 90; 105.723; 90 | 1965.69 | Wen, Tian; Zheng, Yao; Xu, Chaochen; Zhang, Jian; Jaroniec, Mietek; Qiao, Shi-Zhang A boron imidazolate framework with mechanochromic and electrocatalytic properties Materials Horizons, 2018, 5, 1151 |
| 1549881 | CIF | C13 H8 Br N O Se | P 1 21/n 1 | 7.6043; 13.4161; 11.8847 90; 103.676; 90 | 1178.1 | Shukla, Rahul; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Balkrishna, Shah Jaimin; Kumar, Sangit; Chopra, Deepak Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br···π interaction in an ebselen derivative <i>via</i> experimental and theoretical electron-density analysis IUCrJ, 2018, 5, 647-653 |
| 1549947 | CIF | C10 H12 N2 | P c a m | 8.99566; 21.5226; 9.8982 90; 90; 90 | 1916.39 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
| 1549948 | CIF | C10 H12 N2 | P c a 21 | 9.0006; 20.7778; 9.7487 90; 90; 90 | 1823.13 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
| 1549949 | CIF | C10 H12 N2 | P n a 21 | 8.6825; 42.095; 9.7523 90; 90; 90 | 3564.4 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
| 1550099 | CIF | C31 H34 N2 O5 | P 1 21/c 1 | 11.0695; 17.736; 13.5179 90; 97.3794; 90 | 2631.97 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550100 | CIF | C31 H34 N2 O6 | P 1 21/c 1 | 11.235; 17.6516; 13.4798 90; 96.269; 90 | 2657.27 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550101 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.3258; 17.8349; 13.4077 90; 95.8; 90 | 2694.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550102 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 10.843; 17.862; 13.913 90; 91.715; 90 | 2693.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550103 | CIF | C31 H34 N2 O7 | P 1 21 1 | 11.4733; 17.6286; 13.653 90; 93.29; 90 | 2756.88 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550104 | CIF | C31 H34 N2 O5.9 | P 1 21/c 1 | 11.197; 17.627; 13.199 90; 96.347; 90 | 2589.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550105 | CIF | C31 H34.42 N2 O6.42 | P 1 21/c 1 | 11.282; 17.856; 13.46 90; 96.06; 90 | 2696.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550106 | CIF | C62 H67.84 N4 O11.72 | P 1 21 1 | 11.346; 17.508; 13.4 90; 98.15; 90 | 2635 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550107 | CIF | C31 H34 N2 O6.51 | P 1 21/c 1 | 11.253; 17.66; 13.247 90; 95.787; 90 | 2619.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550108 | CIF | C31 H34.55 N2 O6.14 | P 1 21/c 1 | 11.176; 17.608; 13.305 90; 95.426; 90 | 2606.5 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550109 | CIF | C31 H34 N2 O6.47 | P 1 21/c 1 | 11.487; 17.514; 13.31 90; 95.95; 90 | 2663 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550110 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.195; 17.69; 13.449 90; 94.4; 90 | 2656 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550111 | CIF | C31 H33 N2 O7 | P 1 21/c 1 | 11.475; 17.669; 13.248 90; 94.87; 90 | 2676 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550112 | CIF | C31 H34.12 N2 O6.33 | P 1 21/c 1 | 11.296; 17.807; 13.459 90; 95.99; 90 | 2692.5 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550113 | CIF | C31 H34 N2 O6.17 | P 1 21/c 1 | 11.199; 17.71; 13.4 90; 94.85; 90 | 2648 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550114 | CIF | C31 H34 N2 O6.27 | P 1 21/c 1 | 11.369; 17.66; 13.539 90; 95.632; 90 | 2705.2 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550115 | CIF | C31 H34 N2 O6.46 | P 1 21/c 1 | 11.102; 17.701; 13.437 90; 94.667; 90 | 2632 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550116 | CIF | C31 H34 N2 O6.4 | P 1 21/c 1 | 11.41; 17.772; 13.55 90; 95.891; 90 | 2733.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550117 | CIF | C31 H34 N2 O6.81 | P 1 21/c 1 | 11.405; 17.746; 13.511 90; 95.49; 90 | 2721.99 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550118 | CIF | C62 H68.91 N4 O13.03 | P 1 21 1 | 11.246; 17.607; 13.523 90; 94.19; 90 | 2671 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550119 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.319; 17.672; 13.391 90; 93.9; 90 | 2672.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550120 | CIF | C31.1 H33.33 N2 O6.35 | P 1 21/c 1 | 11.153; 17.701; 13.336 90; 95.232; 90 | 2621.8 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550121 | CIF | C31 H34 N2 O6.69 | P 1 21/c 1 | 11.404; 17.591; 13.269 90; 95.526; 90 | 2649 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550122 | CIF | C62 H67.8 N4 O12.63 | P 1 21 1 | 11.237; 17.571; 13.374 90; 94.584; 90 | 2632.2 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550123 | CIF | C31 H34 N2 O6.49 | P 1 21/c 1 | 11.279; 17.633; 13.377 90; 94.51; 90 | 2652 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550124 | CIF | C31 H34 N2 O8 | P 1 21/c 1 | 11.074; 17.895; 14 90; 92.859; 90 | 2770.9 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550146 | CIF Paper | C16 H14 O3 | P -1 | 6.0671; 7.5611; 13.8523 92.078; 93.838; 90.994 | 633.49 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1550147 | CIF | C16 H14 O3 | P 21 21 21 | 6.113; 7.3809; 55.524 90; 90; 90 | 2505.2 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1550148 | CIF | C16 H14 O3 | P 21 21 21 | 6.113; 7.3809; 55.524 90; 90; 90 | 2505.2 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1551110 | CIF | C18 H16 N4 O5 | P 1 21/n 1 | 8.0803; 13.8722; 14.7217 90; 95.773; 90 | 1641.81 | Sumitra N. Mangasuli; Kallappa M. Hosamani; Praveen B. Managutti Microwave assisted synthesis of coumarin-purine derivatives: An approach to in vitro anti-oxidant, DNA cleavage, crystal structure, DFT studies and Hirshfeld surface analysis Heliyon, 2019, 5, e01131 |
| 1551111 | CIF | C16 H28 Co N6 S4 | P b c m | 8.5881; 24.4244; 11.4808 90; 90; 90 | 2408.2 | A. A. Bagabasa; M. Alsawalha; M. Sohail; S. Alhoshan; R. Arasheed Synthesis, crystal structure, and characterization of cyclohexylammonium tetraisothiocyanatocobaltate(II): A single-source precursor for cobalt sulfide and oxide nanostructures Heliyon, 2019, 5, e01139 |
| 1551334 | CIF | C19 H21 Br O10 | C 1 2 1 | 28.107; 6.679; 13.398 90; 117.776; 90 | 2225.4 | Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath A multistep single-crystal-to-single-crystal bromodiacetylene dimerization Nature Chemistry, 2013, 5, 327-334 |
| 1551335 | CIF | C19 H21 Br O10 | C 1 2 1 | 28.5038; 6.6628; 13.4137 90; 117.232; 90 | 2265.1 | Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath A multistep single-crystal-to-single-crystal bromodiacetylene dimerization Nature Chemistry, 2013, 5, 327-334 |
| 1551336 | CIF | C19 H21 Br O10 | P 21 21 21 | 7.2835; 12.3657; 24.4205 90; 90; 90 | 2199.45 | Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath A multistep single-crystal-to-single-crystal bromodiacetylene dimerization Nature Chemistry, 2013, 5, 327-334 |
| 1551390 | CIF | C65 H65 N5 | P -1 | 13.52; 14.217; 17.557 103.495; 103.098; 102.405 | 3065.8 | Semin Lee; Chun-Hsing Chen; Amar H. Flood A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes Nature Chemistry, 2013, 5, 704-710 |
| 1551391 | CIF | C174 H196 N17 O13.5 P | P -1 | 17.781; 18.62; 31.361 74.262; 76.314; 66.192 | 9048 | Semin Lee; Chun-Hsing Chen; Amar H. Flood A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes Nature Chemistry, 2013, 5, 704-710 |
| 1551419 | CIF | C37 H50 N2 O11 | P 1 21 1 | 10.5002; 10.3073; 16.5868 90; 93.853; 90 | 1791.1 | Russell R. A. Kitson; Chuan-Hsin Chang; Rui Xiong; Huw E. L. Williams; Adrienne L. Davis; William Lewis; Donna L. Dehn; David Siegel; S. Mark Roe; Chrisostomos Prodromou; David Ross; Christopher J. Moody Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90 Nature Chemistry, 2013, 5, 307-314 |
| 1551486 | CIF | C30 H32 F4 I2 N6 O4 | P -1 | 6.3339; 15.5864; 17.6362 88.14; 83.243; 78.306 | 1693 | Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed Halogen-bonding-triggered supramolecular gel formation Nature Chemistry, 2013, 5, 42-47 |
| 1551487 | CIF | C22 H20 F4 I2 N6 O2 | P 1 21/c 1 | 4.6214; 9.4623; 28.332 90; 91.188; 90 | 1238.7 | Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed Halogen-bonding-triggered supramolecular gel formation Nature Chemistry, 2013, 5, 42-47 |
| 1551489 | CIF | C84 H34 Cl8 | P -1 | 10.181; 16.443; 18.458 72.977; 83.516; 72.387 | 2815.1 | Katsuaki Kawasumi; Qianyan Zhang; Yasutomo Segawa; Lawrence T. Scott; Kenichiro Itami A grossly warped nanographene and the consequences of multiple odd-membered-ring defects Nature Chemistry, 2013, 5, 739-744 |
| 1551546 | CIF | C43 H54 N2 O3 | P -1 | 9.414; 9.4615; 23.4843 87.8308; 79.2432; 63.911 | 1843.3 | Lixu Yang; Catherine Adam; Gary S. Nichol; Scott L. Cockroft How much do van der Waals dispersion forces contribute to molecular recognition in solution? Nature Chemistry, 2013, 5, 1006-1010 |
| 1551874 | CIF | C135.75 H59.5 Gd2 N4 Ni | P 1 21/c 1 | 20.4825; 14.8334; 25.3877 90; 96.261; 90 | 7667.4 | Jianyuan Zhang; Faye L. Bowles; Daniel W. Bearden; W. Keith Ray; Tim Fuhrer; Youqing Ye; Caitlyn Dixon; Kim Harich; Richard F. Helm; Marilyn M. Olmstead; Alan L. Balch; Harry C. Dorn A missing link in the transformation from asymmetric to symmetric metallofullerene cages implies a top-down fullerene formation mechanism Nature Chemistry, 2013, 5, 880-885 |
| 1551875 | CIF | C29 H46 Ir N5 P2 | F d d 2 | 19.853; 42.232; 14.782 90; 90; 90 | 12393.7 | Stefan Michlik; Rhett Kempe A sustainable catalytic pyrrole synthesis Nature Chemistry, 2013, 5, 140-144 |
| 1551876 | CIF | C33 H47 Ir N5 P2 | P 32 | 23.001; 23.001; 17.621 90; 90; 120 | 8073.4 | Stefan Michlik; Rhett Kempe A sustainable catalytic pyrrole synthesis Nature Chemistry, 2013, 5, 140-144 |
| 1551877 | CIF | C114.75 H141 N12 | C 2 2 21 | 28.3772; 35.137; 21.3407 90; 90; 90 | 21279 | Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper Molecular shape sorting using molecular organic cages Nature Chemistry, 2013, 5, 276-281 |
| 1551878 | CIF | C108 H129 N12 | P 21 21 21 | 20.515; 28.04; 35.607 90; 90; 90 | 20483 | Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper Molecular shape sorting using molecular organic cages Nature Chemistry, 2013, 5, 276-281 |
| 1551879 | CIF | C88 H104 N12 | I 1 2 1 | 17.5354; 18.0598; 24.493 90; 90.554; 90 | 7756.2 | Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper Molecular shape sorting using molecular organic cages Nature Chemistry, 2013, 5, 276-281 |
| 1551880 | CIF | C88 H104 N12 | I 1 2 1 | 17.701; 18.026; 24.9002 90; 90.293; 90 | 7945 | Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper Molecular shape sorting using molecular organic cages Nature Chemistry, 2013, 5, 276-281 |
| 1551881 | CIF | C18 H16.19 Br N2 O1.6 | P 1 21 1 | 7.4574; 5.66; 19.1444 90; 97.282; 90 | 801.55 | Ling Li; Chao-Yuan Wang; Rongcai Huang; Mark R. Biscoe Stereoretentive Pd-catalysed Stille cross-coupling reactions of secondary alkyl azastannatranes and aryl halides Nature Chemistry, 2013, 5, 607-612 |
| 1552029 | CIF | C65 H57 Cl6 O3 Os P3 | P 1 21/n 1 | 13.8326; 28.3948; 15.8845 90; 109.685; 90 | 5874.4 | Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia Stabilization of anti-aromatic and strained five-membered rings with a transition metal Nature Chemistry, 2013, 5, 698-703 |
| 1552030 | CIF | C65 H58 B2 Cl5 F8 O3 Os P3 | P -1 | 13.8145; 15.1705; 17.3902 80.617; 81.263; 63.058 | 3192.9 | Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia Stabilization of anti-aromatic and strained five-membered rings with a transition metal Nature Chemistry, 2013, 5, 698-703 |
| 1552031 | CIF | C67.5 H60 B Cl5.5 F4 O2 Os P3 S | P 1 21/n 1 | 13.501; 11.592; 41.963 90; 93.416; 90 | 6555.7 | Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia Stabilization of anti-aromatic and strained five-membered rings with a transition metal Nature Chemistry, 2013, 5, 698-703 |
| 1552032 | CIF | C70 H58 B Cl F4 N O2 Os P3 | P -1 | 11.9255; 16.0492; 16.8145 66.863; 80.698; 80.809 | 2904 | Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia Stabilization of anti-aromatic and strained five-membered rings with a transition metal Nature Chemistry, 2013, 5, 698-703 |
| 1552038 | CIF | C52 H58 B Cl2 Fe2 N O S2 | P 1 21/n 1 | 11.6074; 27.348; 15.1345 90; 97.21; 90 | 4766.3 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552039 | CIF | C26 H34 Fe2 S2 | P -1 | 10.788; 15.1458; 16.0306 85.671; 80.231; 70.333 | 2430.25 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552040 | CIF | C30 H44 F6 Fe2 N2 O P S2 | P 1 21/n 1 | 10.782; 11.971; 27.44 90; 97.181; 90 | 3514 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552041 | CIF | C27 H38 Fe2 N2 S2 | C m c 21 | 20.976; 8.383; 15.189 90; 90; 90 | 2671 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552042 | CIF | C27 H38 F6 Fe2 N2 P S2 | P 1 21/n 1 | 11.8105; 21.889; 12.4062 90; 105.239; 90 | 3094.5 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552043 | CIF | C66 H65 B F24 Fe2 N2 O2 S2 | P -1 | 13.0962; 17.5004; 19.4221 113.607; 96.424; 108.902 | 3705.95 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552044 | CIF | C51 H59 B Fe2 N2 S2 | P 1 21/n 1 | 12.79; 9.938; 36.438 90; 100.079; 90 | 4560 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552045 | CIF | C50 H56 B Fe2 N S2 | P 1 21/c 1 | 12.471; 19.5462; 18.2725 90; 90.138; 90 | 4454.1 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552046 | CIF | C51 H58 B Fe2 N S2 | P 1 21/c 1 | 12.5508; 19.5577; 18.2624 90; 90.383; 90 | 4482.7 | Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic Nature Chemistry, 2013, 5, 320-326 |
| 1552050 | CIF | C22 H31 N2 O3 P Ru | P 1 21/c 1 | 8.246; 16.988; 16.411 90; 101.3; 90 | 2254.3 | Ekambaram Balaraman; Eugene Khaskin; Gregory Leitus; David Milstein Catalytic transformation of alcohols to carboxylic acid salts and H2 using water as the oxygen atom source Nature Chemistry, 2013, 5, 122-125 |
| 1552063 | CIF | C39 H42 Br N O10 | P 1 | 8.0123; 9.5367; 12.5723 76.698; 83.324; 77.616 | 910.87 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552064 | CIF | C18 H22 Br N O6 | C 1 2 1 | 25.835; 10.3517; 7.2252 90; 102.657; 90 | 1885.3 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552065 | CIF | C12 H16 O6 | P -1 | 6.891; 9.592; 10.273 102.611; 90.215; 106.979 | 632.1 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552066 | CIF | C17 H18 O6 | P 1 21/c 1 | 9.695; 13.257; 12.556 90; 106.298; 90 | 1548.9 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552067 | CIF | C14 H18 O6 | P 21 21 21 | 8.9133; 12.178; 12.9803 90; 90; 90 | 1408.96 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552068 | CIF | C13 H18 O6 | P 1 21/n 1 | 6.8942; 8.0356; 23.889 90; 90.741; 90 | 1323.3 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552069 | CIF | C13 H16 O6 | P 1 21/n 1 | 7.7457; 12.057; 14.063 90; 98.045; 90 | 1300.4 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552070 | CIF | C11 H12 O5 | P -1 | 6.1277; 7.5181; 10.9862 91.291; 98.594; 91.918 | 499.96 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552071 | CIF | C8 H9 N O2 | P 1 21/c 1 | 5.6893; 10.7024; 12.4002 90; 95.454; 90 | 751.62 | Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates Nature Chemistry, 2013, 5, 1049-1057 |
| 1552077 | CIF | C48 H64 F6 N6 O10 Pd2 S2 | C 1 2/c 1 | 18.868; 14.993; 23.283 90; 107.387; 90 | 6286 | Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas Sponge-like molecular cage for purification of fullerenes Nature Communications, 2014, 5, 5557 |
| 1552078 | CIF | C264 H280 N32 O16 Pd8 Zn2 | P 4/m n c | 32.76; 32.76; 35.29 90; 90; 90 | 37874 | Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas Sponge-like molecular cage for purification of fullerenes Nature Communications, 2014, 5, 5557 |
| 1552079 | CIF | C340 H280 N32 O16 Pd8 Zn2 | P 4/m n c | 32.16; 32.16; 34.85 90; 90; 90 | 36044.2 | Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas Sponge-like molecular cage for purification of fullerenes Nature Communications, 2014, 5, 5557 |
| 1552080 | CIF | C380 H280 N23 O16 Pd8 Z | P 4/m n c | 32.202; 32.202; 34.972 90; 90; 90 | 36265 | Cristina Garcia-Simon; Marc Garcia-Borras; Laura Gomez; Teodor Parella; Silvia Osuna; Jordi Juanhuix; Inhar Imaz; Daniel Maspoch; Miquel Costas; Xavi Ribas Sponge-like molecular cage for purification of fullerenes Nature Communications, 2014, 5, 5557 |
| 1553077 | CIF | C48 H82 Br2 Co N4 O4 | P 1 21/c 1 | 16.0231; 19.3117; 32.4862 90; 91.744; 90 | 10047.7 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553078 | CIF | C54 H92 Br2 Co N5 O5 | P 1 21/c 1 | 10.7544; 28.8912; 18.3199 90; 97.037; 90 | 5649.3 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553079 | CIF | C32 H46 Br2 Co N3 O4 | P 1 2/n 1 | 18.491; 8.1781; 21.8017 90; 93.873; 90 | 3289.4 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553080 | CIF | C56 H82 Br2 Co N4 O4 | P 1 21/n 1 | 10.4432; 13.5068; 39.638 90; 95.944; 90 | 5561 | Nguyen, Andy I.; Hadt, Ryan G.; Solomon, Edward I.; Tilley, T. Don Efficient C-H Bond Activations <i>via</i> O<sub>2</sub> Cleavage by a Dianionic Cobalt(II) Complex. Chemical science, 2014, 5, 2874-2878 |
| 1553081 | CIF | C33 H44 Li N O3 Si | P n a 21 | 18.7063; 11.4184; 13.9803 90; 90; 90 | 2986.1 | Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R. A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides Chem. Sci., 2014, 5, 4831 |
| 1553082 | CIF | C42 H48 Co N P2 Si2 | P -1 | 9.28; 12.256; 18.651 98.324; 91.537; 106.636 | 2005.9 | Brennan, Marshall R.; Kim, Dongyoung; Fout, Alison R. A synthetic and mechanistic investigation into the cobalt(i) catalyzed amination of aryl halides Chem. Sci., 2014, 5, 4831 |
| 1553856 | CIF | C81 H82 O10 | P -1 | 12.0438; 14.5042; 22.049 72.623; 76.291; 77.888 | 3530.8 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553857 | CIF | C44 H48 O12 | P 1 21/n 1 | 12.791; 20.978; 14.779 90; 98.582; 90 | 3921 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553858 | CIF | C90 H125 N3 O10 | P -1 | 13.633; 15.357; 20.965 91.591; 94.087; 111.251 | 4073.6 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553859 | CIF | C42 H46 O11 | P 1 21 1 | 14.289; 23.102; 20.977 90; 108.428; 90 | 6570 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553860 | CIF | C119 H158 Cl9 O10 | P -1 | 14.89; 18.123; 21.671 81.371; 82.134; 87.707 | 5726 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553861 | CIF | C110 H140 O10 | C 1 2/c 1 | 43.045; 21.347; 23.043 90; 104.773; 90 | 20474 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553862 | CIF | C82 H85 O12 | P 1 21 1 | 16.77; 21.69; 18.89 90; 93.48; 90 | 6858 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553863 | CIF | C75 H110 O10 | P -1 | 16.619; 16.686; 16.858 95.191; 117.822; 114.325 | 3527.9 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553864 | CIF | C81 H84 O10 | P -1 | 12.31; 16.48; 18.98 83.427; 80.887; 69.254 | 3548 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553865 | CIF | C82 H86 Cl2 O10 | P -1 | 12.2178; 15.0675; 20.9593 78.186; 85.869; 67.284 | 3483.6 | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state Organic Chemistry Frontiers, 2018, 5, 10 |
| 1553872 | CIF | C30 H30 I N3 O5 | P 21 21 21 | 12.1518; 12.3848; 19.412 90; 90; 90 | 2921.5 | Zhu, Jing-Yan; Yang, Wu-Lin; Liu, Yang-Zi; Shang, Shao-Jing; Deng, Wei-Ping A copper(i)-catalyzed asymmetric Mannich reaction of glycine Schiff bases with isatin-derived ketimines: enantioselective synthesis of 3-substituted 3-aminooxindoles Organic Chemistry Frontiers, 2018, 5, 70 |
| 1553873 | CIF | C13 H23 N O4 S | P 21 21 21 | 6.1598; 8.133; 31.1006 90; 90; 90 | 1558.07 | Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters Organic Chemistry Frontiers, 2018, 5, 36 |
| 1553874 | CIF | C21 H24 N2 O6 S | P 21 21 21 | 7.9925; 13.9906; 19.0487 90; 90; 90 | 2130.02 | Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters Organic Chemistry Frontiers, 2018, 5, 36 |
| 1553880 | CIF | C10 H8 Cl N O2 | P 1 21/c 1 | 3.8516; 11.2844; 21.4208 90; 89.074; 90 | 930.89 | Ledovskaya, Maria S.; Rodygin, Konstantin S.; Ananikov, Valentine P. Calcium-mediated one-pot preparation of isoxazoles with deuterium incorporation Organic Chemistry Frontiers, 2018, 5, 226 |
| 1553883 | CIF | C43 H60 N2 P Sc Si2 | P -1 | 10.8597; 13.0923; 18.0508 75.984; 74.865; 66.722 | 2247.6 | Gao, Hongjie; Su, Jianhong; Xu, Pengfei; Xu, Xin Scandium-catalyzed C(sp3)‒H alkylation of N,N-dimethyl anilines with alkenes Organic Chemistry Frontiers, 2018, 5, 59 |
| 1553884 | CIF | C19 H20 O | P 1 21/c 1 | 8.859; 21.377; 8.0979 90; 106.44; 90 | 1470.9 | Zang, Wenqing; Wei, Yin; Shi, Min Gold(i) catalyzed cascade cyclization: intramolecular two-fold nucleophilic addition to vinylidenecyclopropanes (VDCPs) Organic Chemistry Frontiers, 2018, 5, 197 |
| 1553885 | CIF | C15 H12 Cl2 O2 | P -1 | 6.059; 8.893; 13.346 91.59; 93.75; 108.42 | 679.9 | Dai, Jie; Ren, Wenlong; Li, Jingfu; Shi, Yian An effective approach to aryl-substituted propanoic acids via the Pd-catalyzed hydrocarboxylation of stilbenes Organic Chemistry Frontiers, 2018, 5, 561 |
| 1553886 | CIF | C18 H20 O2 | P -1 | 8.26; 10.221; 10.602 102.5; 107.52; 109.03 | 756.2 | Dai, Jie; Ren, Wenlong; Li, Jingfu; Shi, Yian An effective approach to aryl-substituted propanoic acids via the Pd-catalyzed hydrocarboxylation of stilbenes Organic Chemistry Frontiers, 2018, 5, 561 |
| 1553887 | CIF | C18 H17 N O3 S | P 1 21/c 1 | 17.558; 9.331; 9.8891 90; 91.367; 90 | 1619.71 | Sun, Deli; Zhang, Ronghua Transition-metal-free, visible-light-induced oxidative cross-coupling for constructing β-acetylamino acrylosulfones from sodium sulfinates and enamides Organic Chemistry Frontiers, 2018, 5, 92 |
| 1553888 | CIF | C13 H15 N O3 S | P 1 21/c 1 | 15.8995; 8.3725; 9.9537 90; 100.406; 90 | 1303.2 | Sun, Deli; Zhang, Ronghua Transition-metal-free, visible-light-induced oxidative cross-coupling for constructing β-acetylamino acrylosulfones from sodium sulfinates and enamides Organic Chemistry Frontiers, 2018, 5, 92 |
| 1553889 | CIF | C18 H17 Cl N2 O3 S | P 1 21/n 1 | 13.2285; 9.3407; 14.9536 90; 95.087; 90 | 1840.4 | Jiang, Dong-Fang; Hu, Jie-Yu; Hao, Wen-Juan; Wang, Shu-Liang; Tu, Shu-Jiang; Jiang, Bo Tunable Cu(i)-catalyzed site-selective dehydrogenative amination of β,γ-unsaturated hydrazones for divergent synthesis of pyrazol-4-ones and 1,6-dihydropyradazines Organic Chemistry Frontiers, 2018, 5, 189 |
| 1553890 | CIF | C17 H14 Cl2 N2 O2 S | P 1 21/n 1 | 11.6687; 8.7574; 17.8369 90; 96.512; 90 | 1810.9 | Jiang, Dong-Fang; Hu, Jie-Yu; Hao, Wen-Juan; Wang, Shu-Liang; Tu, Shu-Jiang; Jiang, Bo Tunable Cu(i)-catalyzed site-selective dehydrogenative amination of β,γ-unsaturated hydrazones for divergent synthesis of pyrazol-4-ones and 1,6-dihydropyradazines Organic Chemistry Frontiers, 2018, 5, 189 |
| 1553891 | CIF | C27 H35 N O1.5 P | C 1 2/c 1 | 10.5217; 14.8118; 29.451 90; 94.42; 90 | 4576.1 | Wang, Huanan; Li, Shuaiqi; Wang, Baiquan; Li, Bin The regioselective synthesis of 2-phosphinoylindoles via Rh(iii)-catalyzed C‒H activation Organic Chemistry Frontiers, 2018, 5, 88 |
| 1553892 | CIF | C28 H24 N O2 P | C 1 2/c 1 | 24.609; 9.508; 21.415 90; 115.972; 90 | 4504.7 | Wang, Huanan; Li, Shuaiqi; Wang, Baiquan; Li, Bin The regioselective synthesis of 2-phosphinoylindoles via Rh(iii)-catalyzed C–H activation Organic Chemistry Frontiers, 2018, 5, 88 |
| 1553893 | CIF | C30 H23 Au F3 N4 O3 P S | P 1 21/c 1 | 11.707; 16.717; 15.157 90; 96.39; 90 | 2948 | Huang, Ronghui; Yang, Yongchun; Wang, Duo-Sheng; Zhang, Liang; Wang, Dawei Where does Au coordinate to N-(2-pyridiyl)benzotriazole: gold-catalyzed chemoselective dehydrogenation and borrowing hydrogen reactions Organic Chemistry Frontiers, 2018, 5, 203 |
| 1553894 | CIF | C24 H20 N2 O5 | P 1 21 1 | 10.31419; 19.2062; 11.0205 90; 109.532; 90 | 2057.49 | Ruan, Sai; Lin, Xiaobin; Xie, Lihua; Lin, Lili; Feng, Xiaoming; Liu, Xiaohua Asymmetric synthesis of 3-aminodihydrocoumarins via the chiral guanidine catalyzed cascade reaction of azlactones Organic Chemistry Frontiers, 2018, 5, 32 |
| 1553895 | CIF | C21 H17 Br N2 O | P 1 21/n 1 | 8.7889; 8.9182; 22.444 90; 91.02; 90 | 1758.9 | Zhang, Qianqian; Song, Chuanjun; Huang, He; Zhang, Kun; Chang, Junbiao Cesium carbonate promoted cascade reaction involving DMF as a reactant for the synthesis of dihydropyrrolizino[3,2-b]indol-10-ones Organic Chemistry Frontiers, 2018, 5, 80 |
| 1553896 | CIF | C15 H14 N2 O | P 1 21/n 1 | 9.8465; 26.3558; 9.9725 90; 104.267; 90 | 2508.2 | Zhang, Qianqian; Song, Chuanjun; Huang, He; Zhang, Kun; Chang, Junbiao Cesium carbonate promoted cascade reaction involving DMF as a reactant for the synthesis of dihydropyrrolizino[3,2-b]indol-10-ones Organic Chemistry Frontiers, 2018, 5, 80 |
| 1553897 | CIF | C23 H20 Cl F3 N2 O3 | P b c a | 18.1727; 10.5743; 23.813 90; 90; 90 | 4576 | Sun, Yao-Liang; Wei, Yin; Shi, Min Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles Organic Chemistry Frontiers, 2018, 5, 210 |
| 1553898 | CIF | C20 H24 N2 O4 | P 1 21/c 1 | 18.416; 11.31; 9.759 90; 93.907; 90 | 2027.9 | Sun, Yao-Liang; Wei, Yin; Shi, Min Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles Organic Chemistry Frontiers, 2018, 5, 210 |
| 1553899 | CIF | C14 H19 N O3 S | P 21 21 21 | 5.36821; 11.71337; 21.6232 90; 90; 90 | 1359.66 | Reboredo, Silvia; García-Marijuan, Ainara; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Ugarriza, Iratxe; Vicario, Jose L. Highly diastereoselective C → N acyl rearrangement in polysubstituted pyrrolidine 2,2-dicarboxylates. Stereocontrolled synthesis of densely functionalized prolines Organic Chemistry Frontiers, 2018, 5, 933 |
| 1553900 | CIF | C13 H13 Br N2 O | P 1 21/c 1 | 9.673; 11.975; 10.6305 90; 96.144; 90 | 1224.3 | Zhao, He; Chen, Xiuwen; Jiang, Huanfeng; Zhang, Min Copper-catalysed dehydrogenative α-C(sp3)–H amination of tetrahydroquinolines with O-benzoyl hydroxylamines Organic Chemistry Frontiers, 2018, 5, 539 |
| 1553901 | CIF | C17 H17 N O3 | P 21 21 21 | 6.5337; 8.4509; 26.0879 90; 90; 90 | 1440.46 | Xu, Youguo; Zhang, Sheng; Li, Lijun; Wang, Yukang; Zha, Zhenggen; Wang, Zhiyong l-Phenylalanine potassium catalyzed asymmetric formal [3 + 3] annulation of 2-enoyl-pyridine N-oxides with acetone Organic Chemistry Frontiers, 2018, 5, 376 |
| 1553902 | CIF | C16 H36 Br Cl3 Fe N | P n n a | 18.4928; 11.5835; 11.4759 90; 90; 90 | 2458.3 | Li, Sanliang; Zhu, Bo; Lee, Richmond; Qiao, Baokun; Jiang, Zhiyong Visible light-induced selective aerobic oxidative transposition of vinyl halides using a tetrahalogenoferrate(iii) complex catalyst Organic Chemistry Frontiers, 2018, 5, 380 |
| 1553903 | CIF | C24 H13 F | P 1 21/n 1 | 10.4684; 7.428; 18.7773 90; 90.086; 90 | 1460.11 | Shi, Xinzhe; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri Synthesis of mono- and di-arylated acenaphthylenes and programmed access to dibenzo[j,l]fluoranthenes via palladium-catalysed C‒H bond functionalisation Organic Chemistry Frontiers, 2018, 5, 398 |
| 1553904 | CIF | C24 H14 Cl2 | C 1 2/c 1 | 16.8237; 11.333; 10.2994 90; 114.382; 90 | 1788.6 | Shi, Xinzhe; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri Synthesis of mono- and di-arylated acenaphthylenes and programmed access to dibenzo[j,l]fluoranthenes via palladium-catalysed C‒H bond functionalisation Organic Chemistry Frontiers, 2018, 5, 398 |
| 1553905 | CIF | C20 H22 N4 S | P 1 21/n 1 | 17.47; 5.702; 20.396 90; 114.211; 90 | 1853 | Amendola, Valeria; Boiocchi, Massimo; Fabbrizzi, Luigi; La Cognata, Sonia; Legnani, Laura; Lo Presti, Eliana; Mangano, Carlo; Miljkovic, Ana Anion-induced isomerization of fluorescent semi(thio)carbazones Organic Chemistry Frontiers, 2018, 5, 391 |
| 1553906 | CIF | C23 H25 N O2 | C 1 2 1 | 17.0278; 8.4534; 14.668 90; 110.034; 90 | 1983.59 | Shen, Hong-Qiang; Liu, Cong; Zhou, Ji; Zhou, Yong-Gui Enantioselective palladium-catalyzed C–H functionalization of pyrroles using an axially chiral 2,2′-bipyridine ligand Organic Chemistry Frontiers, 2018, 5, 611 |
| 1553907 | CIF | C25.5 H35 Cl2 Fe N3 O1.5 | P 1 21 1 | 16.1979; 9.8887; 17.2384 90; 100.854; 90 | 2711.8 | Chen, Jianhui; Xi, Tuo; Lu, Zhan 10 gram-scale synthesis of a chiral oxazoline iminopyridine ligand and its applications Organic Chemistry Frontiers, 2018, 5, 247 |
| 1553908 | CIF | C21 H19 Br O2 | P 1 21/n 1 | 8.277; 19.206; 11.294 90; 93.738; 90 | 1791.6 | Qi, Jifeng; Zheng, Jing; Cui, Sunliang Facile synthesis of carbo- and heterocycles via Fe(iii)-catalyzed alkene hydrofunctionalization Organic Chemistry Frontiers, 2018, 5, 222 |
| 1553909 | CIF | C26 H28 O2 | P -1 | 8.914; 9.542; 13.652 86.106; 80.322; 67.976 | 1061 | Qi, Jifeng; Zheng, Jing; Cui, Sunliang Facile synthesis of carbo- and heterocycles via Fe(iii)-catalyzed alkene hydrofunctionalization Organic Chemistry Frontiers, 2018, 5, 222 |
| 1553910 | CIF | C38 H26 N4 O4 | P b c n | 21.1618; 11.9414; 23.2097 90; 90; 90 | 5865.1 | Zwoliński, K. M.; Sieroń, L.; Eilmes, J. One-flask synthesis of dibenzotetraaza[14]annulene cyclic congeners bearing buta-1,3-diyne bridges Organic Chemistry Frontiers, 2018, 5, 171 |
| 1553911 | CIF | C46 H50 N4 O8 S4 Zn | P 1 21 1 | 11.2639; 15.6341; 13.7495 90; 110.204; 90 | 2272.3 | Zwoliński, K. M.; Sieroń, L.; Eilmes, J. One-flask synthesis of dibenzotetraaza[14]annulene cyclic congeners bearing buta-1,3-diyne bridges Organic Chemistry Frontiers, 2018, 5, 171 |
| 1553912 | CIF | C19 H14 Br N O2 | P 1 21/c 1 | 17.1209; 6.8257; 14.2218 90; 100.2; 90 | 1635.72 | Chen, Changjun; Pan, Yixiao; Zhao, Haoqiang; Xu, Xin; Xu, Jianbin; Zhang, Zongyao; Xi, Siqi; Xu, Lijin; Li, Huanrong A versatile rhodium(iii) catalyst for direct acyloxylation of aryl and alkenyl C–H bonds with carboxylic acids Organic Chemistry Frontiers, 2018, 5, 415 |
| 1553913 | CIF | C24 H28 N O2 Rh | P -1 | 8.581; 10.888; 11.352 93.19; 106.92; 90.49 | 1012.8 | Chen, Changjun; Pan, Yixiao; Zhao, Haoqiang; Xu, Xin; Xu, Jianbin; Zhang, Zongyao; Xi, Siqi; Xu, Lijin; Li, Huanrong A versatile rhodium(iii) catalyst for direct acyloxylation of aryl and alkenyl C‒H bonds with carboxylic acids Organic Chemistry Frontiers, 2018, 5, 415 |
| 1553914 | CIF | C22 H16 N2 O2 | P -1 | 7.1832; 10.3531; 12.7041 99.499; 102.356; 98.881 | 892.4 | Chen, Changjun; Pan, Yixiao; Zhao, Haoqiang; Xu, Xin; Xu, Jianbin; Zhang, Zongyao; Xi, Siqi; Xu, Lijin; Li, Huanrong A versatile rhodium(iii) catalyst for direct acyloxylation of aryl and alkenyl C–H bonds with carboxylic acids Organic Chemistry Frontiers, 2018, 5, 415 |
| 1553915 | CIF | C29 H32 O3 | C 1 2/c 1 | 30.962; 10.076; 20.18 90; 121.016; 90 | 5395.5 | Liu, Lina; Yuan, Zhenbo; Pan, Rui; Zeng, Yuye; Lin, Aijun; Yao, Hequan; Huang, Yue 1,6-Conjugated addition-mediated [4 + 1] annulation: an approach to 2,3-dihydrobenzofurans Organic Chemistry Frontiers, 2018, 5, 623 |
| 1553916 | CIF | C17 H13 Cl N2 O4 | P -1 | 10.1754; 13.7004; 13.8309 119.49; 102.929; 92.342 | 1609.7 | Daggupati, Ramana V.; Malapaka, Chandrasekharam Cu(i)-Catalyzed amidation/imidation of N-arylglycine ester derivatives via C–N coupling under mild conditions Organic Chemistry Frontiers, 2018, 5, 788 |
| 1553917 | CIF | C16 H15 N3 O2 | P -1 | 6.0881; 7.8709; 14.5993 86.207; 88.891; 76.774 | 679.53 | Zhu, Chuanle; Zeng, Hao; Chen, Fulin; Liu, Chi; Zhu, Rui; Wu, Wanqing; Jiang, Huanfeng Copper-catalyzed coupling of oxime acetates and aryldiazonium salts: an azide-free strategy toward N-2-aryl-1,2,3-triazoles Organic Chemistry Frontiers, 2018, 5, 571 |
| 1553918 | CIF | C28 H26 N2 | P 1 21/c 1 | 6.4301; 13.8923; 12.2241 90; 103.031; 90 | 1063.85 | Grandl, Markus; Sun, Yu; Pammer, Frank Electronic and structural properties of N → B-ladder boranes with high electron affinity Organic Chemistry Frontiers, 2018, 5, 336 |
| 1553919 | CIF | C40 H54 B2 N2 | P -1 | 9.0141; 12.9277; 15.5179 111.75; 98.849; 99.031 | 1613.9 | Grandl, Markus; Sun, Yu; Pammer, Frank Electronic and structural properties of N → B-ladder boranes with high electron affinity Organic Chemistry Frontiers, 2018, 5, 336 |
| 1553920 | CIF | C40 H54 B2 N2 | P 1 21/n 1 | 17.2519; 10.4002; 18.7527 90; 94.829; 90 | 3352.73 | Grandl, Markus; Sun, Yu; Pammer, Frank Electronic and structural properties of N → B-ladder boranes with high electron affinity Organic Chemistry Frontiers, 2018, 5, 336 |
| 1553921 | CIF | C44 H56 B2 N2 | P 1 21 1 | 10.7137; 14.9388; 11.2075 90; 101.824; 90 | 1755.7 | Grandl, Markus; Sun, Yu; Pammer, Frank Electronic and structural properties of N → B-ladder boranes with high electron affinity Organic Chemistry Frontiers, 2018, 5, 336 |
| 1553922 | CIF | C50 H29 B2 F20 N3 | P 1 2/n 1 | 13.3636; 12.765; 15.0491 90; 111.844; 90 | 2382.85 | Grandl, Markus; Sun, Yu; Pammer, Frank Electronic and structural properties of N →B-ladder boranes with high electron affinity Organic Chemistry Frontiers, 2018, 5, 336 |
| 1553923 | CIF | C60 H38 B2 F20 N2 | P -1 | 11.196; 13.488; 19.102 102.11; 104.06; 108.18 | 2528 | Grandl, Markus; Sun, Yu; Pammer, Frank Electronic and structural properties of N → B-ladder boranes with high electron affinity Organic Chemistry Frontiers, 2018, 5, 336 |
| 1553924 | CIF | C35 H37 Cl2 N3 O4 S2 | P 1 21/n 1 | 8.616; 21.777; 18.552 90; 100.259; 90 | 3425 | Cao, Bo; Wei, Yin; Shi, Min Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons Organic Chemistry Frontiers, 2018, 5, 423 |
| 1553925 | CIF | C8 H12 Cl Cu N4 O4 | P n a 21 | 24.106; 8.4201; 20.584 90; 90; 90 | 4178 | Cao, Bo; Wei, Yin; Shi, Min Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons Organic Chemistry Frontiers, 2018, 5, 423 |
| 1553926 | CIF | C33 H33 N3 O4 S2 | C 1 2/c 1 | 33.342; 14.1163; 13.8882 90; 113.533; 90 | 5993 | Cao, Bo; Wei, Yin; Shi, Min Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons Organic Chemistry Frontiers, 2018, 5, 423 |
| 1553927 | CIF | C33 H33 N3 O4 S2 | P 1 21/c 1 | 20.618; 12.7286; 11.5829 90; 96.577; 90 | 3019.8 | Cao, Bo; Wei, Yin; Shi, Min Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons Organic Chemistry Frontiers, 2018, 5, 423 |
| 1553928 | CIF | C36 H29 N3 | P 1 21/c 1 | 16.4746; 9.1306; 19.2167 90; 113.764; 90 | 2645.5 | Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V. A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones Organic Chemistry Frontiers, 2018, 5, 595 |
| 1553929 | CIF | C40.35 H35.05 N3 O1.67 | P -1 | 9.0006; 13.4106; 13.9272 73.859; 78.251; 71.617 | 1519.94 | Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V. A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones Organic Chemistry Frontiers, 2018, 5, 595 |
| 1553930 | CIF | C39 H29 N3 O2 | P 1 21/n 1 | 9.8591; 17.6789; 16.9614 90; 96.753; 90 | 2935.83 | Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V. A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones Organic Chemistry Frontiers, 2018, 5, 595 |
| 1553931 | CIF | C43 H29 N3 | P 1 21/n 1 | 9.7752; 18.4617; 18.0848 90; 102.389; 90 | 3187.7 | Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V. A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones Organic Chemistry Frontiers, 2018, 5, 595 |
| 1553932 | CIF | C44 H31 N3 O | P 1 21/c 1 | 9.9057; 18.2185; 17.9256 90; 94.694; 90 | 3224.13 | Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V. A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones Organic Chemistry Frontiers, 2018, 5, 595 |
| 1553933 | CIF | C10 H15 N O3 | P 1 c 1 | 9.9528; 5.6608; 10.1737 90; 119.444; 90 | 499.16 | Peter, Clovis; Geoffroy, Philippe; Miesch, Michel Highly diastereoselective access to polyfunctionalized 1,3-oxazines promoted by Brønsted/Lewis acids Organic Chemistry Frontiers, 2018, 5, 566 |
| 1553934 | CIF | C16 H14 O7 | P -1 | 6.934; 9.4461; 12.5549 77.759; 76.1; 88.981 | 779.63 | Xu, Li-Chen; Zhou, Peng; Li, Jia-Zhuo; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo Thiazolium salt-catalyzed [3 + 2 + 1] cyclization for the synthesis of trisubstituted 2-pyrones using arylglyoxals as a carbonyl source Organic Chemistry Frontiers, 2018, 5, 753 |
| 1553935 | CIF | C65 H63 F6 N8 O12 P S6 | P -1 | 14.18; 16.43; 16.973 65.7; 71.841; 79.491 | 3417.8 | Zhao, Meng-Yao; Guo, Qing-Hui; Wang, Mei-Xiang Understanding the driving force for the molecular recognition of S6-corona[3]arene[3]pyridazine toward organic ammonium cations Organic Chemistry Frontiers, 2018, 5, 760 |
| 1553936 | CIF | C26 H28 Cl2 N3 O5 P Ru | P 21 21 21 | 8.4287; 10.7538; 30.9419 90; 90; 90 | 2804.59 | de Julián, E.; Menéndez-Pedregal, E.; Claros, M.; Vaquero, M.; Díez, J.; Lastra, E.; Gamasa, P.; Pizzano, A. Practical synthesis of enantiopure benzylamines by catalytic hydrogenation or transfer hydrogenation reactions in isopropanol using a Ru-pybox catalyst Organic Chemistry Frontiers, 2018, 5, 841 |
| 1553937 | CIF | C33 H30 Cl2 N3 O4 P Ru | P 4 | 28.3195; 28.3195; 8.539 90; 90; 90 | 6848.2 | de Julián, E.; Menéndez-Pedregal, E.; Claros, M.; Vaquero, M.; Díez, J.; Lastra, E.; Gamasa, P.; Pizzano, A. Practical synthesis of enantiopure benzylamines by catalytic hydrogenation or transfer hydrogenation reactions in isopropanol using a Ru-pybox catalyst Organic Chemistry Frontiers, 2018, 5, 841 |
| 1553938 | CIF | C27 H23 N3 O | I 41 c d | 31.825; 31.825; 8.303 90; 90; 90 | 8410 | Zhang, Chen; Pi, Junxia; Chen, Shu; Liu, Ping; Sun, Peipei Construction of a 4H-pyrido[4,3,2-gh]phenanthridin-5(6H)-one skeleton via a catalyst-free radical cascade addition/cyclization using azo compounds as radical sources Organic Chemistry Frontiers, 2018, 5, 793 |
| 1553939 | CIF | C22 H22 Si | P b c a | 8.8464; 13.6195; 30.1026 90; 90; 90 | 3626.9 | Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)–Si bond cleavage Organic Chemistry Frontiers, 2018, 5, 860 |
| 1553940 | CIF | C21 H20 Si | P 1 21/n 1 | 12.2864; 9.5206; 14.4288 90; 96.731; 90 | 1676.16 | Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)–Si bond cleavage Organic Chemistry Frontiers, 2018, 5, 860 |
| 1553941 | CIF | C23 H22 N2 O7 | P 1 | 9.297; 11.515; 11.957 61.974; 80.333; 67.602 | 1044.6 | Han, Jianxin; Niu, Sheng-Tong; Liu, Yushuang; Gan, Lishe; Wang, Tianfu; Lu, Chong-Dao; Yuan, Tao Robustanoids A and B, two novel pyrrolo[2,3-b]indole alkaloids from Coffea canephora: isolation and total synthesis Organic Chemistry Frontiers, 2018, 5, 586 |
| 1553942 | CIF | C28 H21 N5 O | P -1 | 7.483; 12.28; 13.156 73.055; 75.131; 76.779 | 1102.1 | Gao, Qinghe; He, Shuang; Wu, Xia; Zhang, Jingjing; Bai, Suping; Wu, Yandong; Wu, Anxin Selective access to dipyrazolo-fused pyridines via formal [3 + 2 + 1] heteroannulation of methyl ketones with pyrazol-5-amines Organic Chemistry Frontiers, 2018, 5, 765 |
| 1553943 | CIF | C83 H54 Cl2 N2 O2 | P -1 | 9.6948; 10.6078; 14.8224 105.266; 103.77; 93.623 | 1415.35 | Marin, L.; Guillot, R.; Gandon, V.; Schulz, E.; Lebœuf, D. A diversity-oriented synthesis of cyclopenta[b]pyrroles and related compounds through a calcium(ii)/copper(ii) catalytic sequence Organic Chemistry Frontiers, 2018, 5, 640 |
| 1553944 | CIF | C34 H29 Cl2 N O3 | P 1 21/c 1 | 14.1223; 10.4359; 19.4476 90; 97.282; 90 | 2843.05 | Marin, L.; Guillot, R.; Gandon, V.; Schulz, E.; Lebœuf, D. A diversity-oriented synthesis of cyclopenta[b]pyrroles and related compounds through a calcium(ii)/copper(ii) catalytic sequence Organic Chemistry Frontiers, 2018, 5, 640 |
| 1553945 | CIF | C13 H9 Br Cl F4 N S | P 1 21/c 1 | 6.18585; 19.014; 13.0299 90; 104.086; 90 | 1486.46 | Das, Prajwalita; Takada, Masahiro; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio Synthesis of pyridine trans-tetrafluoro-λ6-sulfane derivatives via radical addition Organic Chemistry Frontiers, 2018, 5, 719 |
| 1553946 | CIF | C16 H12 Cl N O2 S | C 1 2/c 1 | 24.908; 13.4385; 8.7528 90; 93.042; 90 | 2925.7 | Zhao, Lang; Liao, Wei-Wei Pd-Catalyzed intramolecular C–H addition to the cyano-group: construction of functionalized 2,3-fused thiophene scaffolds Organic Chemistry Frontiers, 2018, 5, 801 |
| 1553947 | CIF | C16 H18 N2 O2 | P 1 21/n 1 | 9.5527; 12.362; 12.0679 90; 92.577; 90 | 1423.66 | Yue, Qiang; Xiao, Zhen; Ran, Ziyao; Yuan, Songdong; Zhang, Qian; Li, Dong Copper-catalyzed α-C–H amidation of simple ethers through C(sp3)–H/N–H cross dehydrogenative coupling Organic Chemistry Frontiers, 2018, 5, 967 |
| 1553948 | CIF | C17 H15.5 N2 O3.5 S | P 1 21 1 | 13.1217; 8.2301; 15.9865 90; 109.525; 90 | 1627.15 | Huang, Bing-Bing; Wu, Liang; Liu, Ren-Rong; Xing, Ling-Ling; Liang, Ren-Xiao; Jia, Yi-Xia Enantioselective Friedel–Crafts C2-alkylation of 3-substituted indoles with trifluoropyruvates and cyclic N-sulfonyl α-ketiminoesters Organic Chemistry Frontiers, 2018, 5, 929 |
| 1553949 | CIF | C19 H17 F3 N O3.5 | P 21 21 21 | 8.0275; 13.876; 31.686 90; 90; 90 | 3529.5 | Huang, Bing-Bing; Wu, Liang; Liu, Ren-Rong; Xing, Ling-Ling; Liang, Ren-Xiao; Jia, Yi-Xia Enantioselective Friedel–Crafts C2-alkylation of 3-substituted indoles with trifluoropyruvates and cyclic N-sulfonyl α-ketiminoesters Organic Chemistry Frontiers, 2018, 5, 929 |
| 1553950 | CIF | C28 H20 N4 | P 1 21/c 1 | 10.4482; 7.41078; 13.6312 90; 105.538; 90 | 1016.88 | Qin, Wen-Bing; Li, Wei-Wei; Zhu, Peng-Fei; Mo, Xiao-Gang; Zhang, Hui-Jun; Wen, Ting-Bin Rh(iii)-Catalyzed regio- and stereoselective bisindolylation of vinyl acetate: an efficient approach toward (E)-1,2-bis(2-indolyl)ethenes Organic Chemistry Frontiers, 2018, 5, 1096 |
| 1553951 | CIF | C25 H30 N2 O3.5 Rh | P -1 | 8.5997; 11.3141; 23.5957 89.88; 86.923; 89.086 | 2292.21 | Qin, Wen-Bing; Li, Wei-Wei; Zhu, Peng-Fei; Mo, Xiao-Gang; Zhang, Hui-Jun; Wen, Ting-Bin Rh(iii)-Catalyzed regio- and stereoselective bisindolylation of vinyl acetate: an efficient approach toward (E)-1,2-bis(2-indolyl)ethenes Organic Chemistry Frontiers, 2018, 5, 1096 |
| 1553952 | CIF | C24 H22 S6 Si2 | C 1 2/c 1 | 31.277; 16.691; 10.668 90; 93.503; 90 | 5559 | Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene Organic Chemistry Frontiers, 2018, 5, 1257 |
| 1553953 | CIF | C22 H20 S7 Si2 | P 1 21/c 1 | 19.71; 13.215; 10.489 90; 103.753; 90 | 2653.7 | Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene Organic Chemistry Frontiers, 2018, 5, 1257 |
| 1553954 | CIF | C11 H11 Br S3 Si | P n m a | 12.594; 7.353; 15.175 90; 90; 90 | 1405.3 | Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene Organic Chemistry Frontiers, 2018, 5, 1257 |
| 1553955 | CIF | C11 H11 Br S3 Si | P 1 21/c 1 | 11.5286; 15.8164; 8.4588 90; 110.19; 90 | 1447.6 | Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene Organic Chemistry Frontiers, 2018, 5, 1257 |
| 1553956 | CIF | C53 H49 Cl2 N3 O3 | P 1 21/n 1 | 11.566; 31.513; 12.0437 90; 92.279; 90 | 4386.2 | Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones Organic Chemistry Frontiers, 2018, 5, 1202 |
| 1553957 | CIF | C50.5 H49 Cl I N3 O5 | C 1 2/c 1 | 29.069; 16.647; 23.834 90; 124.203; 90 | 9538.8 | Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones Organic Chemistry Frontiers, 2018, 5, 1202 |
| 1553958 | CIF | C52 H47 N3 O3 | P 1 21/n 1 | 13.605; 13.333; 23.507 90; 101.393; 90 | 4180 | Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones Organic Chemistry Frontiers, 2018, 5, 1202 |
| 1553959 | CIF | C20 H19 N O2 | P 1 21/c 1 | 7.6879; 13.3936; 15.696 90; 103.359; 90 | 1572.46 | Chen, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei tert-Butyl peroxybenzoate mediated formation of 3-alkylated quinolines from N-propargylamines via a cascade radical addition/cyclization reaction Organic Chemistry Frontiers, 2018, 5, 855 |
| 1553960 | CIF | C51 H51 Cl5 N4 O2 P2 Ru | P 1 21/c 1 | 12.074; 22.964; 17.711 90; 93.931; 90 | 4899 | Roy, Bivas Chandra; Debnath, Subhankar; Chakrabarti, Kaushik; Paul, Bhaskar; Maji, Milan; Kundu, Sabuj ortho-Amino group functionalized 2,2′-bipyridine based Ru(ii) complex catalysed alkylation of secondary alcohols, nitriles and amines using alcohols Organic Chemistry Frontiers, 2018, 5, 1008 |
| 1553961 | CIF | C22 H28 Cl F6 N4 P Ru | P n a 21 | 24.447; 12.95; 7.9 90; 90; 90 | 2501.1 | Roy, Bivas Chandra; Debnath, Subhankar; Chakrabarti, Kaushik; Paul, Bhaskar; Maji, Milan; Kundu, Sabuj ortho-Amino group functionalized 2,2′-bipyridine based Ru(ii) complex catalysed alkylation of secondary alcohols, nitriles and amines using alcohols Organic Chemistry Frontiers, 2018, 5, 1008 |
| 1553962 | CIF | C48 H44 Cl2 N4 P2 Ru | P 1 21/c 1 | 9.679; 19.168; 21.719 90; 91.489; 90 | 4028 | Roy, Bivas Chandra; Debnath, Subhankar; Chakrabarti, Kaushik; Paul, Bhaskar; Maji, Milan; Kundu, Sabuj ortho-Amino group functionalized 2,2′-bipyridine based Ru(ii) complex catalysed alkylation of secondary alcohols, nitriles and amines using alcohols Organic Chemistry Frontiers, 2018, 5, 1008 |
| 1553963 | CIF | C23 H21 N O2 S | P 21 21 21 | 8.0484; 10.6055; 21.9053 90; 90; 90 | 1869.8 | Li, Yun; Chen, Jingchao; He, Zhenxiu; Qin, Hongyu; Zhou, Yongyun; Khan, Ruhima; Fan, Baomin Cobalt-catalyzed asymmetric reactions of heterobicyclic alkenes with in situ generated organozinc halides Organic Chemistry Frontiers, 2018, 5, 1108 |
| 1553964 | CIF | C26 H27 Br O3 | P 21 21 2 | 14.839; 17.596; 8.652 90; 90; 90 | 2259.1 | Li, Shoulei; Liu, Bin; Chen, Li; Li, Xin; Cheng, Jin-Pei N-Heterocyclic carbene promoted enantioselective desymmetrization reaction of diarylalkane-bisphenols Organic Chemistry Frontiers, 2018, 5, 1101 |
| 1553965 | CIF | C10 H8 N4 | P 1 21/c 1 | 4.3504; 24.437; 8.5476 90; 102.442; 90 | 887.36 | Qiao, Kai; Zhang, Dong; Zhang, Kai; Yuan, Xin; Zheng, Ming-Wei; Guo, Tian-Fo; Fang, Zheng; Wan, Li; Guo, Kai Iron(ii)-catalyzed C-2 cyanomethylation of indoles and pyrroles via direct oxidative cross-dehydrogenative coupling with acetonitrile derivatives Organic Chemistry Frontiers, 2018, 5, 1129 |
| 1553966 | CIF | C18 H21 N O2 S | P 21 21 21 | 9.4077; 9.9254; 17.562 90; 90; 90 | 1639.9 | Song, Bo; Chen, Mu-Wang; Zhou, Yong-Gui Synthesis of chiral sultams with two adjacent stereocenters via palladium-catalyzed dynamic kinetic resolution Organic Chemistry Frontiers, 2018, 5, 1113 |
| 1553967 | CIF | C15 H7 Cl F N O | P 1 21/n 1 | 8.9388; 9.7832; 13.5584 90; 107.86; 90 | 1128.54 | Liu, Jianming; Yan, Xuyang; Liu, Na; Zhang, Yanyan; Zhao, Shufang; Wang, Xiaopei; Zhuo, Kelei; Yue, Yuanyuan Elemental sulfur accelerated the reactivity of the 3-position of indole for the construction of chromeno[2,3-b]indoles Organic Chemistry Frontiers, 2018, 5, 1034 |
| 1553968 | CIF | C26 H27 N O3 | P -1 | 9.2089; 10.5763; 10.9769 100.503; 95.221; 91.16 | 1046.09 | Luo, Hejiang; Liang, Renxiao; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa A silver-catalyzed three-component reaction via stabilized cation: synthesis of polysubstituted tetrahydronaphthols and tetrahydronaphthylamines Organic Chemistry Frontiers, 2018, 5, 1160 |
| 1553969 | CIF | C23 H19 F O2 | P -1 | 8.9683; 9.8217; 11.353 75.074; 77.458; 63.345 | 857.59 | Luo, Hejiang; Liang, Renxiao; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa A silver-catalyzed three-component reaction via stabilized cation: synthesis of polysubstituted tetrahydronaphthols and tetrahydronaphthylamines Organic Chemistry Frontiers, 2018, 5, 1160 |
| 1553970 | CIF | C64 H100 N4 Na4 O46 | C 1 2/c 1 | 29.1539; 14.0671; 24.2333 90; 126.156; 90 | 8024.4 | Zhang, Yao; Yu, Shang-Bo; Yang, Bo; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting Ion-pair electrostatic attraction-enhanced donor‒acceptor interactions between the prototypic 1,4-dialkoxybenzene-viologen binding mode in water Organic Chemistry Frontiers, 2018, 5, 1039 |
| 1553971 | CIF | C10 H9 Br F N O4 S | P 1 21/n 1 | 8.7382; 5.8569; 23.8346 90; 91.141; 90 | 1219.58 | Wang, Shi-Meng; Li, Chen; Leng, Jing; Bukhari, Syed Nasir Abbas; Qin, Hua-Li Rhodium(iii)-catalyzed Oxidative Coupling of N-Methoxybenzamides and Ethenesulfonyl fluoride: a C–H Bond Activation Strategy for the Preparation of 2-Aryl ethenesulfonyl fluorides and Sulfonyl fluoride Substituted γ-Lactams Organic Chemistry Frontiers, 2018, 5, 1411 |
| 1553972 | CIF | C15 H11 F O5 S | P 1 21/n 1 | 8.6492; 6.7929; 25.645 90; 98.112; 90 | 1491.6 | Wang, Shi-Meng; Li, Chen; Leng, Jing; Bukhari, Syed Nasir Abbas; Qin, Hua-Li Rhodium(iii)-catalyzed Oxidative Coupling of N-Methoxybenzamides and Ethenesulfonyl fluoride: a C–H Bond Activation Strategy for the Preparation of 2-Aryl ethenesulfonyl fluorides and Sulfonyl fluoride Substituted γ-Lactams Organic Chemistry Frontiers, 2018, 5, 1411 |
| 1553973 | CIF | C12 H10 Br N O | P 1 21/c 1 | 12.062; 4.0452; 21.707 90; 90.12; 90 | 1059.2 | Reddy, Ganapam Manohar; Rao, Naidu Sambasiva; Maheswaran, H. Highly meta-selective halogenation of 2-phenylpyridine with a ruthenium(i) catalyst Organic Chemistry Frontiers, 2018, 5, 1118 |
| 1553974 | CIF | C24 H25 Cl2 N O | P 21 21 21 | 8.799; 14.7395; 16.0279 90; 90; 90 | 2078.7 | Zheng, Long-Sheng; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie Ruthenium-catalyzed dynamic kinetic asymmetric transfer hydrogenation: stereoselective access to syn 2-(1,2,3,4-tetrahydro-1-isoquinolyl)ethanol derivatives Organic Chemistry Frontiers, 2018, 5, 1366 |
| 1553975 | CIF | C22 H23 N O S | P 21 21 21 | 5.6782; 8.5568; 38.5091 90; 90; 90 | 1871.05 | Zheng, Long-Sheng; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie Ruthenium-catalyzed dynamic kinetic asymmetric transfer hydrogenation: stereoselective access to syn 2-(1,2,3,4-tetrahydro-1-isoquinolyl)ethanol derivatives Organic Chemistry Frontiers, 2018, 5, 1366 |
| 1553976 | CIF | C21 H20 N4 O4 | P 1 21/c 1 | 10.5329; 10.3187; 18.4305 90; 97.847; 90 | 1984.4 | Cao, Wen-Bin; Liu, Bei-Bei; Xu, Xiao-Ping; Ji, Shun-Jun Cooperation of copper and dioxygen for the site-selective construction of benzo[1,5]diazocin-6(5H)-ones from indoles and enaminone analogues Organic Chemistry Frontiers, 2018, 5, 1194 |
| 1553977 | CIF | C34 H28 N O6 P S | P 21 21 21 | 11.9446; 13.7058; 19.238 90; 90; 90 | 3149.5 | Gu, Zheng; Zhou, Ji; Jiang, Guo-Fang; Zhou, Yong-Gui Synthesis of chiral γ-aminophosphonates through the organocatalytic hydrophosphonylation of azadienes with phosphites Organic Chemistry Frontiers, 2018, 5, 1148 |
| 1553978 | CIF | C18 H18 O2 | P 21 21 21 | 7.9384; 9.9744; 17.126 90; 90; 90 | 1356 | Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems Organic Chemistry Frontiers, 2018, 5, 1320 |
| 1553979 | CIF | C18 H18 O3 | P 1 21/c 1 | 12.6396; 9.6186; 11.8318 90; 103.394; 90 | 1399.33 | Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems Organic Chemistry Frontiers, 2018, 5, 1320 |
| 1553980 | CIF | C14 H15 N O4 | P 1 21/c 1 | 13.13; 12.87; 7.8 90; 105.51; 90 | 1270 | Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems Organic Chemistry Frontiers, 2018, 5, 1320 |
| 1554253 | CIF | C25 H21 Br F3 N3 O4 S | P 21 21 21 | 8.8119; 10.4134; 27.1396 90; 90; 90 | 2490.38 | Zhu, Wen-Run; Chen, Qing; Lin, Ning; Chen, Kai-Bin; Zhang, Zhen-Wei; Fang, Gang; Weng, Jiang; Lu, Gui Organocatalytic Michael/cyclization cascade reactions of 3-isothiocyanato oxindoles with 3-trifluoroethylidene oxindoles: an approach for the synthesis of 3′-trifluoromethyl substituted 3,2′-pyrrolidinyl-bispirooxindoles Organic Chemistry Frontiers, 2018, 5, 1375 |
| 1554254 | CIF | C28 H36 O8 | P 1 | 13.986; 14.019; 28.0285 98.119; 91.053; 90.157 | 5439.5 | Yin, Guo-Ping; Wu, Ya-Rong; Han, Chao; Wang, Xiao-Bing; Gao, Hong-Liang; Yin, Yong; Kong, Ling-Yi; Yang, Ming-Hua Asperones A‒E, five dimeric polyketides with new carbon skeletons from the fungus Aspergillus sp. AWG 1‒15 Organic Chemistry Frontiers, 2018, 5, 2432 |
| 1554255 | CIF | C28 H38 O9 | P 21 21 21 | 8.3949; 15.0525; 22.267 90; 90; 90 | 2813.8 | Yin, Guo-Ping; Wu, Ya-Rong; Han, Chao; Wang, Xiao-Bing; Gao, Hong-Liang; Yin, Yong; Kong, Ling-Yi; Yang, Ming-Hua Asperones A–E, five dimeric polyketides with new carbon skeletons from the fungus Aspergillus sp. AWG 1–15 Organic Chemistry Frontiers, 2018, 5, 2432 |
| 1554256 | CIF | C37 H42 O11 | P 21 21 21 | 9.34542; 14.58845; 24.65138 90; 90; 90 | 3360.85 | Xu, Jianlin; Tan, Haibo; Chen, Yuchan; Li, Saini; Huang, Zilei; Guo, Heng; Li, Haohua; Gao, Xiaoxia; Liu, Hongxin; Zhang, Weimin Lithocarpins A–D: four tenellone-macrolide conjugated [4 + 2] hetero-adducts from the deep-sea derived fungus Phomopsis lithocarpus FS508 Organic Chemistry Frontiers, 2018, 5, 1792 |
| 1554257 | CIF | C38 H43 Cl3 O11 | P 1 21 1 | 12.0999; 8.9388; 17.0397 90; 90.378; 90 | 1842.95 | Xu, Jianlin; Tan, Haibo; Chen, Yuchan; Li, Saini; Huang, Zilei; Guo, Heng; Li, Haohua; Gao, Xiaoxia; Liu, Hongxin; Zhang, Weimin Lithocarpins A–D: four tenellone-macrolide conjugated [4 + 2] hetero-adducts from the deep-sea derived fungus Phomopsis lithocarpus FS508 Organic Chemistry Frontiers, 2018, 5, 1792 |
| 1554258 | CIF | C21 H28 O4 | P 1 21 1 | 8.8203; 9.95; 11.3663 90; 104.882; 90 | 964.07 | Hu, Li-Jun; Cheng, Min-Jing; Cao, Jia-Qing; Zhong, Li-Ping; Hu, Ya-Jian; Wang, Ying; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang Asymmetric total syntheses of callistrilones B, G and J Organic Chemistry Frontiers, 2018, 5, 1506 |
| 1554259 | CIF | C27 H26 O5 | P -1 | 9.56; 10.76; 11.542 89.84; 78.84; 80.4 | 1148 | Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M. Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans Organic Chemistry Frontiers, 2018, 5, 1655 |
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