Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1540502 | CIF | Al As3 Ba3 | C m c e | 19.854; 6.8636; 13.2849 90; 90; 90 | 1810.3 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540503 | CIF | As3 Ba3 Ga | P n m a | 13.3589; 19.9788; 6.8008 90; 90; 90 | 1815.1 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540504 | CIF | Al Ba3 P3 | C m c e | 19.3572; 6.7433; 12.9707 90; 90; 90 | 1693.1 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540505 | CIF | Ga P3 Sr3 | C m c e | 18.787; 6.3867; 12.403 90; 90; 90 | 1488.2 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540506 | CIF | Al As3 Sr3 | C m c e | 19.149; 6.5652; 12.6871 90; 90; 90 | 1595 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
| 1540507 | CIF | C9 H16 O2 | P 1 21/c 1 | 10.6473; 5.2855; 17.0313 90; 106.099; 90 | 920.87 | Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid Crystals, 2015, 5, 466 |
| 1540508 | CIF | C10 H18 O2 | P -1 | 4.1405; 15.2839; 17.7089 68.3291; 83.385; 85.0779 | 1033.39 | Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian Synthesis and Molecular Structures of (E)-non-2-enoic Acid and (E)-dec-2-enoic Acid Crystals, 2015, 5, 466 |
| 1540509 | CIF | C24 H26 Ca N4 O14 S2 | P 21 21 2 | 16.355; 17.478; 5.4549 90; 90; 90 | 1559.3 | Tai, Xi-Shi; Wang, Xin Synthesis and Crystal Structure of a 1D Chained Coordination Polymer Constructed from Ca2+ and 2-[(E)-(2-Furoylhydrazono)methyl]benzenesulfonate Crystals, 2015, 5, 458 |
| 1540510 | CIF | C56 H92 Cl2 N8 Nd2 O2 | P -1 | 10.049; 11.337; 14.471 82.53; 83.02; 73.74 | 1563 | Karmel, Isabell; Batrice, Rami; Eisen, Moris Catalytic Organic Transformations Mediated by Actinide Complexes Inorganics, 2015, 3, 392 |
| 1540511 | CIF | C38 H54 Li2 N4 O2 | P -1 | 9.6687; 9.948; 19.611 93.77; 91.33; 90.96 | 1881.4 | Karmel, Isabell; Batrice, Rami; Eisen, Moris Catalytic Organic Transformations Mediated by Actinide Complexes Inorganics, 2015, 3, 392 |
| 1540512 | CIF | C50 H70 Li2 N4 O2 | P -1 | 9.8768; 10.2082; 11.6883 104.144; 90.248; 104.209 | 1105.18 | Karmel, Isabell; Batrice, Rami; Eisen, Moris Catalytic Organic Transformations Mediated by Actinide Complexes Inorganics, 2015, 3, 392 |
| 1540513 | CIF | C44 H72 Ce Cl2 Li N4 O2 P2 Si4 | P 1 21/n 1 | 11.117; 36.425; 13.538 90; 96.7; 90 | 5444.6 | Karmel, Isabell; Batrice, Rami; Eisen, Moris Catalytic Organic Transformations Mediated by Actinide Complexes Inorganics, 2015, 3, 392 |
| 1540514 | CIF | C12 H16 O5 | P 1 21 1 | 9.2138; 7.3606; 16.9811 90; 102.272; 90 | 1125.33 | Guo, Wenqiang; Zhang, Zhenzhen; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Penicyclones A-E, Antibacterial Polyketides from the Deep-Sea-Derived Fungus Penicillium sp. F23-2. Journal of natural products, 2015, 78, 2699-2703 |
| 1540515 | CIF | C47 H55 N | P -1 | 14.501; 20.18; 22.027 62.892; 84.149; 77.27 | 5597 | Lee, Jongbok; Rajeeva, Bharath Bangalore; Yuan, Tianyu; Guo, Zi-Hao; Lin, Yen-Hao; Al-Hashimi, Mohammed; Zheng, Yuebing; Fang, Lei Thermodynamic synthesis of solution processable ladder polymers Chem. Sci., 2016, 7, 881 |
| 1540516 | CIF | C24 H18 B Cl3 F6 N2 O5 | P -1 | 10.3672; 15.451; 17.504 84.827; 78.441; 86.992 | 2734.1 | Ishihara, Kazuaki; Lu, Yanhui Boronic acid–DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines Chem. Sci., 2016, 7, 1276 |
| 1540517 | CIF | C45 H26 Cl2 F N5 | P 1 21/c 1 | 11.74; 21.882; 28.231 90; 92.244; 90 | 7247 | Peng, Jiang; Guo, Xinyan; Jiang, Xinpeng; Zhao, Dahui; Ma, Yuguo Developing efficient heavy-atom-free photosensitizers applicable to TTA upconversion in polymer films Chem. Sci., 2016, 7, 1233 |
| 1540518 | CIF | C38 H35 N O Si | P 21 21 21 | 9.568; 14.645; 21.564 90; 90; 90 | 3021.6 | Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones Chem. Sci., 2016, 7, 1205 |
| 1540519 | CIF | C28 H36 S2 | P -1 | 6.7057; 9.395; 10.2135 75.517; 77.083; 71.249 | 582.7 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540520 | CIF | C28 H36 S2 | P -1 | 6.1837; 9.106; 11.6714 67.24; 76.721; 79.135 | 586.18 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540521 | CIF | C28 H32 O2 S2 | P -1 | 5.4552; 9.113; 24.9685 80.515; 88.025; 77.197 | 1193.85 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540522 | CIF | C28 H32 O2 S2 | P 1 21/n 1 | 11.2121; 10.8647; 19.8947 90; 92.346; 90 | 2421.46 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540523 | CIF | C26 H26 S2 | C 1 2/c 1 | 21.1876; 4.6865; 20.8975 90; 91.004; 90 | 2074.71 | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials Chem. Sci., 2016, 7, 1281 |
| 1540524 | CIF | C38 H50 N O14 | P 21 21 21 | 11.0875; 14.3476; 23.495 90; 90; 90 | 3737.6 | Reis, Mariana A.; André, Vânia; Duarte, M. Teresa; Lage, Hermann; Ferreira, Maria-José U 12,17-Cyclojatrophane and Jatrophane Constituents of Euphorbia welwitschii. Journal of natural products, 2015, 78, 2684-2690 |
| 1540525 | CIF | C40 H53 N O15 | P 1 21 1 | 12.0328; 21.7465; 15.6177 90; 95.277; 90 | 4069.4 | Reis, Mariana A.; André, Vânia; Duarte, M. Teresa; Lage, Hermann; Ferreira, Maria-José U 12,17-Cyclojatrophane and Jatrophane Constituents of Euphorbia welwitschii. Journal of natural products, 2015, 78, 2684-2690 |
| 1540526 | CIF | C17 H24 O5 | P 21 21 21 | 7.2341; 12.0603; 19.2403 90; 90; 90 | 1678.63 | Li, Tian-Xiao; Yang, Ming-Hua; Wang, Xiao-Bing; Wang, Ying; Kong, Ling-Yi Synergistic Antifungal Meroterpenes and Dioxolanone Derivatives from the Endophytic Fungus Guignardia sp. Journal of natural products, 2015, 78, 2511-2520 |
| 1540527 | CIF | C11 H21 N3 O5 | P 21 21 21 | 5.6679; 13.4355; 18.1813 90; 90; 90 | 1384.53 | Zheng, Xiu-Mian; Meng, Fan-Wang; Geng, Fang; Qi, Meng; Luo, Cheng; Yang, Li; Wang, Zheng-Tao Plantadeprate A, a Tricyclic Monoterpene Zwitterionic Guanidium, and Related Derivatives from the Seeds of Plantago depressa. Journal of natural products, 2015, 78, 2822-2826 |
| 1540528 | CIF | C21 H34 O3 | P 1 21 1 | 7.132; 27.174; 9.624 90; 90.614; 90 | 1865.1 | Xie, Chunfeng; Sun, Lingmei; Liao, Kai; Liu, Sheng; Wang, Meicheng; Xu, Jing; Bartlam, Mark; Guo, Yuanqiang Bioactive ent-Pimarane and ent-Abietane Diterpenoids from the Whole Plants of Chloranthus henryi. Journal of natural products, 2015, 78, 2800-2807 |
| 1540529 | CIF | C21 H36 O3 | P 1 21 1 | 6.7178; 17.015; 34.5 90; 90.064; 90 | 3943.5 | Xie, Chunfeng; Sun, Lingmei; Liao, Kai; Liu, Sheng; Wang, Meicheng; Xu, Jing; Bartlam, Mark; Guo, Yuanqiang Bioactive ent-Pimarane and ent-Abietane Diterpenoids from the Whole Plants of Chloranthus henryi. Journal of natural products, 2015, 78, 2800-2807 |
| 1540530 | CIF | C45 H62 N2 O2 P2 Rh2 S2 | P 1 21/n 1 | 12.7487; 19.7725; 18.4361 90; 103.046; 90 | 4527.3 | Jongbloed, L. S.; de Bruin, B.; Reek, J. N. H.; Lutz, M.; van der Vlugt, J. I. Reversible cyclometalation at RhIas a motif for metal‒ligand bifunctional bond activation and base-free formic acid dehydrogenation Catal. Sci. Technol., 2016, 6, 1320 |
| 1540531 | CIF | C25 H29 Cl N O P Pd | P 1 21/n 1 | 16.151; 9.5824; 16.403 90; 111.38; 90 | 2363.9 | Peng, Jing; Chen, Chao; Xi, Chanjuan β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst Chem. Sci., 2016, 7, 1383 |
| 1540532 | CIF | C47 H65 N O5 | C 1 2 1 | 35.188; 7.4837; 16.526 90; 98.87; 90 | 4299.9 | Peng, Jing; Chen, Chao; Xi, Chanjuan β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)–H bonds using a palladium catalyst Chem. Sci., 2016, 7, 1383 |
| 1540533 | CIF | C16 H22 N4 O6 U | P 1 21/c 1 | 10.4376; 5.7148; 15.9916 90; 102.543; 90 | 931.11 | Abney, C. W.; Mayes, R. T.; Piechowicz, M.; Lin, Z.; Bryantsev, V. S.; Veith, G. M.; Dai, S.; Lin, W. XAFS investigation of polyamidoxime-bound uranyl contests the paradigm from small molecule studies Energy Environ. Sci., 2016, 9, 448 |
| 1540534 | CIF | C17 H15 N O2 | P 1 21/c 1 | 12.452; 9.3523; 11.841 90; 98.748; 90 | 1362.9 | Zhou, Zhi; Liu, Guixia; Chen, Yan; Lu, Xiyan Cascade Synthesis of 3-Alkylidene Dihydrobenzofuran Derivatives via Rhodium(III)-Catalyzed Redox-Neutral C-H Functionalization/Cyclization. Organic letters, 2015, 17, 5874-5877 |
| 1540535 | CIF | C44 H28 Cl4 O | P -1 | 11.3831; 11.7165; 12.5092 77.777; 83.9; 89.052 | 1621.27 | Das, Soumyajit; Wu, Jishan Toward Singlet-Triplet Bistable Nonalternant Kekulé Hydrocarbons: Azulene-to-Naphthalene Rearrangement. Organic letters, 2015, 17, 5854-5857 |
| 1540536 | CIF | C15 H21 N3 O5 | P 1 21 1 | 6.359; 22.998; 32.023 90; 90.01; 90 | 4683 | Zhang, Xiaofei; Yang, Haodong; Tang, Pingping Transition-Metal-Free Oxidative Aliphatic C-H Azidation. Organic letters, 2015, 17, 5828-5831 |
| 1540537 | CIF | C15 H24 N2 O2 S | P 1 21/c 1 | 10.9076; 6.7702; 21.2437 90; 103.38; 90 | 1526.19 | Kröger, Denis; Franz, Max; Schmidtmann, Marc; Martens, Jürgen Sequential Multicomponent Reactions and a Cu-Mediated Rearrangement: Diastereoselective Synthesis of Tricyclic Ketones. Organic letters, 2015, 17, 5866-5869 |
| 1540538 | CIF | C150.25 H144 Cl4.5 Mn12 N24 O56 | P 1 21/c 1 | 34.19; 32.89; 44.013 90; 110.32; 90 | 46413 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540539 | CIF | C65 H86 Mn6 N10 O26 | C 1 2/c 1 | 16.0232; 41.093; 13.0506 90; 110.908; 90 | 8027.2 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540540 | CIF | C80 H98 Cl10 Mn6 N10 O32 | P -1 | 16.7797; 16.9615; 20.538 93.849; 105.068; 116.263 | 4948.4 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540541 | CIF | C206 H252 Cl44 Mn12 N24 O48 | C 1 2/c 1 | 42.112; 26.498; 30.5334 90; 127.707; 90 | 26956 | Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer Chem. Sci., 2016, 7, 1156 |
| 1540542 | CIF | C58 H94 Au B F4 N2 O3 | P -1 | 12.4983; 12.6057; 18.1384 98.507; 92.517; 95.084 | 2810.4 | Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci., 2016, 7, 150 |
| 1540543 | CIF | C60 H98 Au N2 O3.5 | C 1 2/c 1 | 20.0066; 16.2975; 20.6068 90; 119.023; 90 | 5875.3 | Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci., 2016, 7, 150 |
| 1540544 | CIF | C50 H74 Au B Cl4 F4 N2 | P 1 21/c 1 | 15.393; 14.569; 24.605 90; 106.993; 90 | 5277 | Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes Chem. Sci., 2016, 7, 150 |
| 1540545 | CIF | C27 H43 B Cl Mg N6 | P 1 21 1 | 9.726; 17.928; 17.689 90; 90.136; 90 | 3084 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540546 | CIF | C24 H40 B F Mg N6 | P 1 21/n 1 | 9.422; 30.397; 9.544 90; 98.992; 90 | 2699.8 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540547 | CIF | C24 H40 B I Mg N6 | P 1 21/n 1 | 10.469; 16.987; 16.162 90; 91.359; 90 | 2873.4 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540548 | CIF | C27 H43 B Br Mg N6 | P 1 21 1 | 9.724; 18.118; 17.751 90; 90.132; 90 | 3127 | Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation Chem. Sci., 2016, 7, 142 |
| 1540549 | CIF | C202 H191 Cl12 N41 O70 Zn9 | P -1 | 19.431; 22.435; 28.802 81.86; 81.6; 75.35 | 11945 | Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe Chem. Sci., 2015 |
| 1540550 | CIF | C222 H163 F60 N41 O62 S22 Zn9 | P 1 21/n 1 | 15.8416; 55.356; 33.875 90; 90.229; 90 | 29706 | Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe Chem. Sci., 2015 |
| 1540551 | CIF | C202 H146 F40 N62 O66 S22 Zn9 | P 61 2 2 | 36.8; 36.8; 35.22 90; 90; 120 | 41306 | Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe Chem. Sci., 2015 |
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