Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515489 | CIF | C15 H20 Mn4 O14 | P -1 | 5.0589; 10.5756; 19.1948 79.883; 87.442; 85.762 | 1007.68 | Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K. Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2 Chemical Science, 2011, 2, 1929 |
| 1515490 | CIF | C21 H32 Mn4 O14 | P -1 | 5.0585; 12.4647; 20.8241 90.848; 90.047; 90.77 | 1312.75 | Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K. Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2 Chemical Science, 2011, 2, 1929 |
| 1515491 | CIF | C15 H35 Cl2 Cr N4 O10 | P n m a | 14.215; 9.7664; 16.4588 90; 90; 90 | 2284.96 | Cho, Jaeheung; Woo, Jaeyoung; Eun Han, Jung; Kubo, Minoru; Ogura, Takashi; Nam, Wonwoo Chromium(v)-oxo and chromium(iii)-superoxo complexes bearing a macrocyclic TMC ligand in hydrogen atom abstraction reactions Chemical Science, 2011, 2, 2057 |
| 1515492 | CIF | C158 H162 Cl6 N10 O6 Zn2 | P -1 | 19.7916; 20.7295; 22.2512 90.5711; 99.966; 117.623 | 7923.7 | Langton, Matthew J.; Matichak, Jonathan D.; Thompson, Amber L.; Anderson, Harry L. Template-directed synthesis of π-conjugated porphyrin [2]rotaxanes and a [4]catenane based on a six-porphyrin nanoring Chemical Science, 2011, 2, 1897 |
| 1515493 | CIF | C19 H24 Br N O6 | P 21 21 21 | 6.6796; 9.2556; 31.8029 90; 90; 90 | 1966.2 | Bartelson, Keith J.; Singh, Ravi P.; Foxman, Bruce M.; Deng, Li Catalytic Asymmetric [4 + 2] Additions with Aliphatic Nitroalkenes. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1940-1944 |
| 1515494 | CIF | C26 H24 Cl2 N2 O5 | P -1 | 12.5561; 12.803; 16.3869 83.594; 83.917; 75.088 | 2521.48 | Ding, Miao; Zhou, Feng; Liu, Yun-Lin; Wang, Cui-Hong; Zhao, Xiao-Li; Zhou, Jian Cinchona alkaloid-based phosphoramide catalyzed highly enantioselective Michael addition of unprotected 3-substituted oxindoles to nitroolefins Chemical Science, 2011, 2, 2035 |
| 1515495 | CIF | C38 H56 Lu2 N2 | P n a 21 | 21.9504; 8.4448; 18.7468 90; 90; 90 | 3475 | Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J. (C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn Chemical Science, 2011, 2, 1992 |
| 1515496 | CIF | C40 H60 N2 Y2 | P -1 | 10.6716; 10.9978; 16.7386 77.9317; 77.8776; 83.5536 | 1873.4 | Mueller, Thomas J.; Fieser, Megan E.; Ziller, Joseph W.; Evans, William J. (C5Me4H)1−-based reduction of dinitrogen by the mixed ligand tris(polyalkylcyclopentadienyl) lutetium and yttrium complexes, (C5Me5)3−x(C5Me4H)xLn Chemical Science, 2011, 2, 1992 |
| 1515497 | CIF | C34 H28 S4 | P -1 | 9.217; 11.524; 15.597 100.75; 105.128; 110.659 | 1423.5 | Mitamura, Yukihiro; Yorimitsu, Hideki; Oshima, Koichiro; Osuka, Atsuhiro Straightforward access to aryl-substituted tetrathiafulvalenes by palladium-catalysed direct C–H arylation and their photophysical and electrochemical properties Chemical Science, 2011, 2, 2017 |
| 1515498 | CIF | C21 H31 I2 N O4 S | C 1 2/c 1 | 29.1152; 11.5743; 15.8437 90; 114.799; 90 | 4846.8 | Sampath, Magesh; Lee, Pei-Ying Beatrix; Loh, Teck-Peng Phosphine-catalyzed one-pot isomerization of 3-alkynoates and [2 + 3]-cycloaddition with imines: formal synthesis of Securinega alkaloid (±)-allosecurinine Chemical Science, 2011, 2, 1988 |
| 1515499 | CIF | C25 H18 Br N O2 | P 1 21/c 1 | 6.1156; 21.353; 15.092 90; 95.378; 90 | 1962.1 | Li, Bi-Jie; Shi, Zhang-Jie Ir-catalyzed highly selective addition of pyridyl C–H bonds to aldehydes promoted by triethylsilane Chemical Science, 2011, 2, 488 |
| 1515500 | CIF | C17 H16 Br N O2 | P 21 21 21 | 7.298; 12.069; 16.9434 90; 90; 90 | 1492.37 | Khan, Hasan A.; Kou, Kevin G. M.; Dong, Vy M. Nitrogen-directed ketone hydroacylation: Enantioselective synthesis of benzoxazecinones Chemical Science, 2011, 2, 407 |
| 1515501 | CIF | C36 H41 B F4 N2 O3 | P 1 21/n 1 | 10.639; 14.831; 20.681 90; 96.24; 90 | 3244 | Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions Chemical Science, 2011, 2, 425 |
| 1515502 | CIF | C41 H36 F6 N2 O2 | P -1 | 8.641; 12.453; 16.039 91.073; 92.167; 100.384 | 1695.8 | Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions Chemical Science, 2011, 2, 425 |
| 1515503 | CIF | C82 H74 Cl6 F48 N16 P8 | P -1 | 10.061; 10.107; 30.25 94.45; 97.31; 95.24 | 3026 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515504 | CIF | C44 H42 F24 N10 P4 | P -1 | 9.8471; 11.4921; 12.2245 68.0681; 89.3833; 85.0539 | 1278.13 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515505 | CIF | C46 H48 F24 N8 O2 P4 | C 1 2/c 1 | 23.7695; 11.2232; 24.0588 90; 114.59; 90 | 5836.11 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515506 | CIF | C40 H48 F24 N8 O6 P4 | P 1 21/n 1 | 8.2914; 19.8515; 16.9016 90; 97.5218; 90 | 2758.01 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515507 | CIF | C52 H60 F24 N8 O4 P4 | P 1 21/c 1 | 9.5897; 10.4314; 32.0723 90; 97.2039; 90 | 3182.99 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515508 | CIF | C46 H54 F24 N10 O4 P4 | P 1 21/c 1 | 16.7324; 20.1029; 17.8841 90; 108.474; 90 | 5705.66 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515509 | CIF | C66 H64 F24 N10 O4 P4 | C 1 c 1 | 17.5254; 12.7345; 30.6082 90; 90.6673; 90 | 6830.59 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515510 | CIF | C56.15 H47.03 Co1.58 F24 N8 O7.09 P4 | I b a m | 22.9688; 18.0778; 21.4031 90; 90; 90 | 8887.1 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515511 | CIF | C44.4 H54.28 Cl4 N9.47 O5.47 | P c m b | 10.192; 20.0159; 24.1601 90; 90; 90 | 4928.71 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515512 | CIF | C46 H52.71 N20.71 O4 | P 1 21/n 1 | 8.0143; 22.0345; 13.2696 90; 93.0774; 90 | 2339.91 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515513 | CIF | C136 H157 N16 O38.5 | P -1 | 9.1698; 16.1629; 23.2751 101.433; 93.1531; 105.604 | 3235.03 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515514 | CIF | C46 H50 Au Cl4 F6 N10 O2 P | C 1 2/c 1 | 34.1635; 12.097; 12.7837 90; 106.831; 90 | 5056.87 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515515 | CIF | C28 H12 Co4 O14 | P 1 21/c 1 | 12.9114; 10.3713; 12.8078 90; 119.78; 90 | 1488.57 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515516 | CIF | C28 H12 Co4 O14 | P 1 21/n 1 | 9.6916; 13.8803; 10.966 90; 94.153; 90 | 1471.3 | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D. A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly Chemical Science, 2011, 2, 494 |
| 1515517 | CIF | C47 H49 Cl10.667 Fe4 N9 O4 | F 2 3 | 29.669; 29.669; 29.669 90; 90; 90 | 26116.1 | Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D. Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine Chemical Science, 2011, 2, 540 |
| 1515518 | CIF | C132 H132 Cl4 F36 Fe5 N24 O12 P6 | P -4 3 n | 21.7946; 21.7946; 21.7946 90; 90; 90 | 10352.5 | Glasson, Christopher R. K.; Clegg, Jack K.; McMurtrie, John C.; Meehan, George V.; Lindoy, Leonard F.; Motti, Cherie A.; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D. Unprecedented encapsulation of a [FeIIICl4]− anion in a cationic [FeII4L6]8+ tetrahedral cage derived from 5,5′′′-dimethyl-2,2′:5′,5′′:2′′,2′′′-quaterpyridine Chemical Science, 2011, 2, 540 |
| 1515519 | CIF | C104 H70 | R -3 :H | 22.054; 22.054; 13.223 90; 90; 120 | 5569.7 | Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian Vapochromic and semiconducting solids of a bifunctional hydrocarbon Chemical Science, 2011, 2, 2402 |
| 1515520 | CIF | C32 H20 | P n m a | 8.0144; 20.9765; 12.7099 90; 90; 90 | 2136.7 | Xia, Hai; Liu, Danqing; Song, Kesheng; Miao, Qian Vapochromic and semiconducting solids of a bifunctional hydrocarbon Chemical Science, 2011, 2, 2402 |
| 1515521 | CIF | C29 H41 Au N2 O2 | P 1 21/n 1 | 13.323; 13.5457; 18.023 90; 98.623; 90 | 3215.8 | Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F. Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation Chemical Science, 2011, 2, 2373 |
| 1515522 | CIF | C27 H29 Au N2 | P -1 | 9.9439; 15.6363; 16.4516 79.47; 83.978; 77.02 | 2445.2 | Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F. Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation Chemical Science, 2011, 2, 2373 |
| 1515523 | CIF | C22 H27 Au N2 | P 1 21/c 1 | 8.327; 29.402; 8.849 90; 98.648; 90 | 2141.9 | Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F. Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation Chemical Science, 2011, 2, 2373 |
| 1515524 | CIF | C27 H30 Au I N2 | P 1 21/c 1 | 9.1235; 7.999; 34.742 90; 94.181; 90 | 2528.7 | Johnson, Magnus T.; Marthinus Janse van Rensburg, J.; Axelsson, Martin; Ahlquist, Mårten S. G.; Wendt, Ola F. Reactivity of NHC Au(i)‒C σ-bonds with electrophiles. An investigation of their possible involvement in catalytic C‒C bond formation Chemical Science, 2011, 2, 2373 |
| 1515525 | CIF | C29 H32 Au O2 P | P 1 21/c 1 | 16.9075; 9.8602; 17.2281 90; 113.997; 90 | 2623.9 | Simonneau, Antoine; Jaroschik, Florian; Lesage, Denis; Karanik, Magdalena; Guillot, Régis; Malacria, Max; Tabet, Jean-Claude; Goddard, Jean-Philippe; Fensterbank, Louis; Gandon, Vincent; Gimbert, Yves Tracking gold acetylides in gold(i)-catalyzed cycloisomerization reactions of enynes Chemical Science, 2011, 2, 2417 |
| 1515526 | CIF | C17 H18 N2 O2 S | C 1 2/c 1 | 34.0823; 5.4014; 16.6312 90; 102.68; 90 | 2987 | Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis Chemical Science, 2011, 2, 2361 |
| 1515527 | CIF | C16 H22 N2 O2 S | P b c a | 12.3076; 9.776; 26.6952 90; 90; 90 | 3211.94 | Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis Chemical Science, 2011, 2, 2361 |
| 1515528 | CIF | C8 H14 N2 O2 S | P 21 21 21 | 5.2071; 12.8881; 14.6972 90; 90; 90 | 986.32 | Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis Chemical Science, 2011, 2, 2361 |
| 1515529 | CIF | C16 H22 N2 O2 S | P 1 21/c 1 | 14.5628; 6.4095; 16.6818 90; 102.174; 90 | 1522.07 | Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter Chemoselective intramolecular allylic C–H amination versus CC aziridination through Co(ii)-based metalloradical catalysis Chemical Science, 2011, 2, 2361 |
| 1515530 | CIF | C30 H41 N O3 S Si | P 21 21 21 | 6.0485; 16.8765; 27.927 90; 90; 90 | 2850.7 | Saxena, Aakarsh; Lam, Hon Wai Enantioselective rhodium-catalyzed arylation of electron-deficient alkenylarenes Chemical Science, 2011, 2, 2326 |
| 1515531 | CIF | C63 H55 N2 O17.5 | C 1 2 1 | 24.233; 11.685; 20.507 90; 111.491; 90 | 5403 | Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip [6]Saddlequat: a [6]helquat captured on its racemization pathway Chemical Science, 2011, 2, 2314 |
| 1515532 | CIF | C27 H28 Cl2 N2 O9 | P 21 21 21 | 11.0841; 13.3658; 17.321 90; 90; 90 | 2566.07 | Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip [6]Saddlequat: a [6]helquat captured on its racemization pathway Chemical Science, 2011, 2, 2314 |
| 1515533 | CIF | C27 H26 F12 N2 P2 | P -1 | 13.8836; 17.9623; 18.7911 75.44; 88.26; 85.425 | 4520.9 | Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip [6]Saddlequat: a [6]helquat captured on its racemization pathway Chemical Science, 2011, 2, 2314 |
| 1515534 | CIF | C29 H26 F6 N2 O6 S2 | P 1 21/c 1 | 9.074; 16.546; 20.709 90; 109.934; 90 | 2922.9 | Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip [6]Saddlequat: a [6]helquat captured on its racemization pathway Chemical Science, 2011, 2, 2314 |
| 1515535 | CIF | C17 H22 O3 | P b c a | 12.7496; 10.619; 22.4445 90; 90; 90 | 3038.7 | Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L. Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2378-2382 |
| 1515536 | CIF | C17 H21 Br O3 | P 21 21 21 | 5.8343; 7.4644; 37.7001 90; 90; 90 | 1641.82 | Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L. Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2378-2382 |
| 1515537 | CIF | C18 H24 O4 | P 1 21/n 1 | 12.1533; 35.1495; 12.2922 90; 110.684; 90 | 4912.5 | Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L. Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence. Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2378-2382 |
| 1515538 | CIF | C74 H76 F15 N8 O22 P Pd S3 | P -1 | 12.518; 18.378; 20.119 97.003; 102.035; 107.893 | 4221 | Blanco, Victor; García, Marcos D.; Peinador, Carlos; Quintela, José M. Self-assembly of new fluorescent Pd(ii) and Pt(ii) 2,7-diazapyrenium-based metallocycles and study of their inclusion complexes and [3]catenanes Chemical Science, 2011, 2, 2407 |
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