Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515235 | CIF | C43 H54 F15 N8 O4 | P -1 | 13.939; 14.194; 14.511 93.624; 118.198; 96.509 | 2491.5 | Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor Chemical Science, 2012, 3, 1522 |
| 1515236 | CIF | C21 H19 B | P 1 21/a 1 | 7.9976; 30.448; 13.5205 90; 96.2528; 90 | 3272.8 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
| 1515237 | CIF | C24 H22 B N | P 4/n :2 | 22.546; 22.546; 7.1203 90; 90; 90 | 3619.4 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
| 1515238 | CIF | C23 H19 B O | C 1 2/c 1 | 25.956; 8.077; 16.85 90; 105.859; 90 | 3398.1 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
| 1515239 | CIF | C23 H19 B S | C 1 2/c 1 | 32.132; 7.89; 14.955 90; 106.728; 90 | 3631 | Iida, Azusa; Sekioka, Anna; Yamaguchi, Shigehiro Heteroarene-fused boroles: what governs the antiaromaticity and Lewis acidity of the borole skeleton? Chemical Science, 2012, 3, 1461 |
| 1515240 | CIF | C11 H23 Cl N6 | P -1 | 4.4289; 9.6455; 17.6718 101.395; 95.279; 92.673 | 735.28 | Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains Chemical Science, 2012, 3, 3227 |
| 1515241 | CIF | C67 H74 B F4 N3 O8 | P 1 21/c 1 | 16.242; 18.9077; 19.5236 90; 94.318; 90 | 5978.7 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
| 1515242 | CIF | C100 H114 N4 O10 | P 1 21/c 1 | 14.1231; 23.13; 26.377 90; 100.575; 90 | 8470.2 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
| 1515243 | CIF | C76.5 H96.5 B2 Cl1.5 F8 N4 O8 | C 1 2/c 1 | 13.833; 29.043; 38.755 90; 97.751; 90 | 15428 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
| 1515244 | CIF | C89.5 H107.5 B2 Cl1.5 F8 N5 O12 | P 1 21/c 1 | 21.517; 39.753; 11.1884 90; 96.934; 90 | 9500 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
| 1515245 | CIF | C89 H111 B2 F8 N9 O18 | P -1 | 14.951; 16.589; 9.3553 100.333; 92.296; 91.691 | 2279.3 | Zhu, Kelong; Vukotic, V. Nicholas; Noujeim, Nadim; Loeb, Stephen J. Bis(benzimidazolium) axles and crown ether wheels: a versatile templating pair for the formation of [2]rotaxane molecular shuttles Chemical Science, 2012, 3, 3265 |
| 1515246 | CIF | C15 H15 N O3 S | P 21 21 21 | 5.4774; 10.39; 25.084 90; 90; 90 | 1427.5 | Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins Chemical Science, 2012, 3, 3161 |
| 1515247 | CIF | C16 H17 N O4 S | P 21 21 21 | 5.5219; 12.136; 23.04 90; 90; 90 | 1544 | Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi Chiral ionic Brønsted acid–achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins Chemical Science, 2012, 3, 3161 |
| 1515248 | CIF | C23 H23 Cu F18 N O6 | P -1 | 10.2817; 10.9413; 15.5048 88.673; 82.244; 67.515 | 1596.1 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515249 | CIF | C26 H30 F18 N Ni O6 | P -1 | 9.9155; 10.9991; 15.6366 83.547; 90.332; 70.468 | 1595.32 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515250 | CIF | C23 H23 F18 N O6 Zn | P -1 | 10.3786; 10.8425; 15.1786 86.056; 80.156; 67.947 | 1559.8 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515251 | CIF | C21 H15 Cu F12 N O6 S | P -1 | 11.5841; 12.0774; 12.1591 63.859; 71.425; 64.501 | 1360.82 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515252 | CIF | C23 H20 Cl N O2 S | P 1 21 1 | 10.3431; 9.0814; 10.9394 90; 102.94; 90 | 1001.44 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515253 | CIF | C23 H20 Cl N O2 S | P 1 21 1 | 11.9219; 12.6553; 13.531 90; 106.461; 90 | 1957.82 | Mack, Daniel J.; Njardarson, Jon T. New mechanistic insights into the copper catalyzed ring expansion of vinyl aziridines: evidence in support of a copper(i) mediated pathway Chemical Science, 2012, 3, 3321 |
| 1515254 | CIF | C8 H10 Cd N4 | I m -3 m | 30.5539; 30.5539; 30.5539 90; 90; 90 | 28523.3 | Karagiaridi, Olga; Bury, Wojciech; Sarjeant, Amy A.; Stern, Charlotte L.; Farha, Omar K.; Hupp, Joseph T. Synthesis and characterization of isostructural cadmium zeolitic imidazolate frameworks via solvent-assisted linker exchange Chemical Science, 2012, 3, 3256 |
| 1515255 | CIF | C8 H12 N O2 | P 1 21/c 1 | 7.3754; 11.0558; 9.6355 90; 105.863; 90 | 755.77 | Sonobe, Toshiaki; Oisaki, Kounosuke; Kanai, Motomu Catalytic aerobic production of imines en route to mild, green, and concise derivatizations of amines Chemical Science, 2012, 3, 3249 |
| 1515256 | CIF | C156 H60 N12 O50 Zn19 | I a -3 | 43.03; 43.03; 43.03 90; 90; 90 | 79674 | Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin Chemical Science, 2012, 3, 2823 |
| 1515257 | CIF | C156 H60 Cd11 N12 O51 | P m -3 m | 22.521; 22.521; 22.521 90; 90; 90 | 11423 | Wang, Xi-Sen; Chrzanowski, Matthew; Gao, Wen-Yang; Wojtas, Lukasz; Chen, Yu-Sheng; Zaworotko, Michael J.; Ma, Shengqian Vertex-directed self-assembly of a high symmetry supermolecular building block using a custom-designed porphyrin Chemical Science, 2012, 3, 2823 |
| 1515258 | CIF | C169.5 H273 Mn7 N18 O37.5 | R -3 :H | 32.152; 32.152; 31.611 90; 90; 120 | 28300 | Hoeke, Veronika; Gieb, Klaus; Müller, Paul; Ungur, Liviu; Chibotaru, Liviu F.; Heidemeier, Maik; Krickemeyer, Erich; Stammler, Anja; Bögge, Hartmut; Schröder, Christian; Schnack, Jürgen; Glaser, Thorsten Hysteresis in the ground and excited spin state up to 10 T of a [MnIII6MnIII]3+ triplesalen single-molecule magnet Chemical Science, 2012, 3, 2868 |
| 1515259 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515260 | CIF | C104 H118 N22 O20 | I 1 2/a 1 | 23.1428; 17.9913; 27.126 90; 97.895; 90 | 11187.4 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515261 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515262 | CIF | C53.53 H67.58 N11 O12.86 | P -1 | 10.9563; 13.8555; 19.2 70.922; 84.699; 78.582 | 2698.8 | Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers Chemical Science, 2012, 3, 2726 |
| 1515263 | CIF | C110 H110 Cl9 N7 S24 | C 1 2/c 1 | 31.769; 20.0818; 24.852 90; 129.585; 90 | 12219.2 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
| 1515264 | CIF | C110 H127 Cl3 N6 S20 | P n m a | 28.3045; 24.6469; 17.5652 90; 90; 90 | 12253.8 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
| 1515265 | CIF | C79 H85 Cl8 N5 S16 | P n n m | 29.858; 14.168; 21.609 90; 90; 90 | 9141 | Park, Jung Su; Bejger, Christopher; Larsen, Karina R.; Nielsen, Kent A.; Jana, Atanu; Lynch, Vincent M.; Jeppesen, Jan O.; Kim, Dongho; Sessler, Jonathan L. Synthesis and recognition properties of higher order tetrathiafulvalene (TTF) calix[n]pyrroles (n = 4‒6) Chemical Science, 2012, 3, 2685 |
| 1515266 | CIF | C18 H36 Cd N2 | P 1 21/n 1 | 11.8651; 11.5596; 15.509 90; 112.201; 90 | 1969.45 | Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Robertson, Stuart D. Opening the black box of mixed-metal TMP metallating reagents: direct cadmation or lithium–cadmium transmetallation? Chemical Science, 2012, 3, 2700 |
| 1515267 | CIF | C32 H28 N6 Si | P b c n | 20.8494; 10; 13.5537 90; 90; 90 | 2825.9 | Liu, Jianzhao; Su, Huimin; Meng, Luming; Zhao, Yihua; Deng, Chunmei; Ng, Jason C. Y.; Lu, Ping; Faisal, Mahtab; Lam, Jacky W. Y.; Huang, Xuhui; Wu, Hongkai; Wong, Kam Sing; Tang, Ben Zhong What makes efficient circularly polarised luminescence in the condensed phase: aggregation-induced circular dichroism and light emission Chemical Science, 2012, 3, 2737 |
| 1515268 | CIF | C18 H21 N O6 | P 1 | 11.3125; 12.0218; 13.7304 102.179; 107.108; 93.227 | 1730.44 | Kimmel, Kyle L.; Weaver, Jimmie D.; Ellman, Jonathan A. Enantio- and diastereoselective addition of cyclohexyl Meldrum's acid to β- and α,β-disubstituted nitroalkenes via N-sulfinyl urea catalysis Chemical Science, 2012, 3, 121 |
| 1515269 | CIF | C29 H40 Au Cl4 F N2 | P 1 21/m 1 | 9.3108; 16.3917; 10.7713 90; 103.594; 90 | 1597.9 | Mankad, Neal P.; Toste, F. Dean C(sp(3))-F reductive elimination from alkylgold(iii) fluoride complexes. Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 72-76 |
| 1515270 | CIF | C24 H25 Br N2 O | P 21 21 21 | 7.4734; 46.036; 6.1199 90; 90; 90 | 2105.5 | Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles Chemical Science, 2012, 3, 205 |
| 1515271 | CIF | C67.5 H36 B F24 N5 P | C 1 2/c 1 | 30.1073; 18.082; 22.4608 90; 106.257; 90 | 11738.8 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515272 | CIF | C74.5 H22.25 Cl3.25 F24 N5 O P | P 1 21/a 1 | 29.5322; 10.3705; 41.5808 90; 99.1602; 90 | 12572.3 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515273 | CIF | C76 H30 F24 N5 P S | P 1 21/c 1 | 19.4591; 8.6913; 37.1609 90; 94.5998; 90 | 6264.6 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515274 | CIF | C57.75 H11 Cl3 F24 N6 O1.5 P | P -1 | 10.1849; 14.9773; 17.6759 85.568; 88.271; 76.766 | 2616.7 | Higashino, Tomohiro; Osuka, Atsuhiro Phosphorus complexes of a triply-fused [24]pentaphyrin Chemical Science, 2012, 3, 103 |
| 1515275 | CIF | C14 H21 N9 O6 | P 1 | 15.8942; 16.2322; 17.6688 89.748; 72.741; 63.537 | 3853.3 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515276 | CIF | C24 H70 N6 O30 S2 | P 1 21 1 | 6.8516; 26.1435; 12.6653 90; 102.975; 90 | 2210.7 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515277 | CIF | C24 H70 N6 O30 S2 | C 2 2 21 | 6.7453; 25.6806; 25.6822 90; 90; 90 | 4448.76 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515278 | CIF | C56 H118 N13 O47 S5 | P 1 | 6.6138; 16.3922; 23.9598 101.113; 92.328; 95.176 | 2534 | Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants Chemical Science, 2012, 3, 249 |
| 1515283 | CIF | B H8 Li N2 | C 1 c 1 | 12.1653; 6.7288; 10.3724 90; 104.751; 90 | 821.08 | He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping Borohydride hydrazinates: high hydrogen content materials for hydrogen storage Energy & Environmental Science, 2012, 5, 5686 |
| 1515284 | CIF | B H12 Li N4 | P c a 21 | 12.0187; 6.49642; 7.6645 90; 90; 90 | 598.43 | He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping Borohydride hydrazinates: high hydrogen content materials for hydrogen storage Energy & Environmental Science, 2012, 5, 5686 |
| 1515285 | CIF | C62 H91 B2 F8 N5 Ni O4 P4 | C 1 2/c 1 | 19.9269; 15.0019; 21.745 90; 102.643; 90 | 6342.9 | Seu, Candace S.; Appel, Aaron M.; Doud, Michael D.; DuBois, Daniel L.; Kubiak, Clifford P. Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes Energy & Environmental Science, 2012, 5, 6480 |
| 1515286 | CIF | C54 H80 B Cl3 Mg2 O6 | P 1 21/n 1 | 16.076; 23.952; 17.49 90; 108.075; 90 | 6402 | Guo, Yong-sheng; Zhang, Fan; Yang, Jun; Wang, Fei-fei; NuLi, Yanna; Hirano, Shin-ichi Boron-based electrolyte solutions with wide electrochemical windows for rechargeable magnesium batteries Energy & Environmental Science, 2012, 5, 9100 |
| 1515287 | CIF | C36 H58 Al Cl5 Mg2 O6 | P -1 | 12.9569; 13.0714; 13.4709 77.757; 85.936; 72.074 | 2121.33 | Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari Electrolyte roadblocks to a magnesium rechargeable battery Energy & Environmental Science, 2012, 5, 5941 |
| 1515288 | CIF | C48 H68 B Cl3 Mg2 O6 | P 1 21/c 1 | 16.4151; 16.5787; 18.5617 90; 109.364; 90 | 4765.6 | Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari Electrolyte roadblocks to a magnesium rechargeable battery Energy & Environmental Science, 2012, 5, 5941 |
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