Crystallography Open Database
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Searching year of publication is 2015
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1540483 | CIF | C18 H19 N O3 | P 1 21 1 | 9.9132; 7.0748; 11.5133 90; 104.337; 90 | 782.32 | Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung γ- and δ-Lactams from the Leaves of Clausena lansium. Journal of natural products, 2015, 78, 2521-2530 |
| 1540484 | CIF | C19 H21 N O3 | P 21 21 21 | 7.5426; 12.0156; 17.4134 90; 90; 90 | 1578.16 | Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung γ- and δ-Lactams from the Leaves of Clausena lansium. Journal of natural products, 2015, 78, 2521-2530 |
| 1540490 | CIF | C20 H32 O3 | P 21 21 21 | 7.6689; 10.2286; 22.608 90; 90; 90 | 1773.42 | Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H. Labdane and Clerodane Diterpenoids from Colophospermum mopane. Journal of natural products, 2015, 78, 2494-2504 |
| 1540491 | CIF | C20 H32 O3 | P 21 21 21 | 14.0499; 17.2599; 31.2403 90; 90; 90 | 7575.8 | Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H. Labdane and Clerodane Diterpenoids from Colophospermum mopane. Journal of natural products, 2015, 78, 2494-2504 |
| 1540501 | CIF | As3 Ga Sr3 | P n m a | 12.757; 19.268; 6.503 90; 90; 90 | 1598.4 | 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 1540552 | CIF | C198 H149 F48 N39 O64 Re4 S16 Zn9 | P 1 21/c 1 | 38.4811; 22.233; 33.8318 90; 115.636; 90 | 26095.5 | 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 |
| 1540559 | CIF | C15 H13 N | P 21 21 21 | 6.8195; 8.3525; 20.053 90; 90; 90 | 1142.2 | Kanchupalli, Vinaykumar; Joseph, Desna; Katukojvala, Sreenivas Pyridazine N-Oxides as Precursors of Metallocarbenes: Rhodium-Catalyzed Transannulation with Pyrroles. Organic letters, 2015, 17, 5878-5881 |
| 1540569 | CIF | C17 H11 F3 N2 O3 | P 1 21/c 1 | 13.835; 14.066; 7.7299 90; 97.446; 90 | 1491.6 | Fugard, Alison J.; Thompson, Bethany K.; Slawin, Alexandra M. Z.; Taylor, James E.; Smith, Andrew D. Organocatalytic Synthesis of Fused Bicyclic 2,3-Dihydro-1,3,4-oxadiazoles through an Intramolecular Cascade Cyclization. Organic letters, 2015, 17, 5824-5827 |
| 1540570 | CIF | C36.42 H45.33 N8 O15.23 Zr | P 1 21/c 1 | 19.6642; 12.5427; 16.2481 90; 91.706; 90 | 4005.7 | Deri, Melissa A.; Ponnala, Shashikanth; Kozlowski, Paul; Burton-Pye, Benjamin P; Cicek, Huseyin T.; Hu, Chunhua; Lewis, Jason S.; Francesconi, Lynn C. p-SCN-Bn-HOPO: A Superior Bifunctional Chelator for (89)Zr ImmunoPET. Bioconjugate chemistry, 2015, 26, 2579-2591 |
| 1540571 | CIF | C11 H14 N2 | P n m a | 8.917; 7.6126; 15.0884 90; 90; 90 | 1024.22 | Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A. Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT. The journal of physical chemistry. A, 2015, 119, 11820-11836 |
| 1540572 | CIF | C15 H22 N2 | P 1 21 1 | 8.4033; 8.2068; 10.092 90; 92.33; 90 | 695.4 | Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A. Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT. The journal of physical chemistry. A, 2015, 119, 11820-11836 |
| 1540573 | CIF | C12 H12 N2 | P -1 | 6.575; 7.956; 9.875 90.42; 107.21; 101.99 | 481.4 | Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A. Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT. The journal of physical chemistry. A, 2015, 119, 11820-11836 |
| 1540574 | CIF | C15 H11 N O3 | P 1 21/n 1 | 12.134; 7.418; 26.1516 90; 91.845; 90 | 2352.69 | Tomás-Mendivil, Eder; Starck, Jérôme; Ortuno, Jean-Claude; Michelet, Véronique Synthesis of Functionalized 1H-Isochromene Derivatives via a Au-Catalyzed Domino Cycloisomerization/Reduction Approach. Organic letters, 2015, 17, 6126-6129 |
| 1540575 | CIF HKL | Ca Gd2 Mo4 O16 | I 41/a :2 | 5.22344; 5.22344; 11.50019 90; 90; 90 | 313.77 | Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties Journal of the American Ceramic Society, 2015, 98, 3223-3230 |
| 1540576 | CIF HKL | Ca Er0.2 Gd1.8 Mo4 O16 | I 41/a :2 | 5.21601; 5.21601; 11.4875 90; 90; 90 | 312.54 | Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties Journal of the American Ceramic Society, 2015, 98, 3223-3230 |
| 1540577 | CIF HKL | Ca Er0.1 Gd1.7 Mo4 O16 Yb0.2 | I 41/a :2 | 5.21412; 5.21412; 11.48095 90; 90; 90 | 312.13 | Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties Journal of the American Ceramic Society, 2015, 98, 3223-3230 |
| 1540578 | CIF HKL | Ca Er0.05 Gd1.5 Mo4 O16 Yb0.45 | I 41/a :2 | 5.21103; 5.21103; 11.47435 90; 90; 90 | 311.58 | Chang Sung Lim; Victor Atuchin; Aleksandr Aleksandrovsky; Maxim Molokeev; Aleksandr Oreshonkov Microwave sol-gel synthesis of CaGd2(MoO4)4:Er3+/Yb3+ phosphors and their upconversion photoluminescence properties Journal of the American Ceramic Society, 2015, 98, 3223-3230 |
| 1540580 | CIF | C34 H30 O2 | P 65 | 26.2091; 26.2091; 6.7076 90; 90; 120 | 3990.3 | Kumar, Ravindra; Tokura, Hiromu; Nishimura, Akira; Mori, Tadashi; Hoshimoto, Yoichi; Ohashi, Masato; Ogoshi, Sensuke Nickel(0)/N-Heterocyclic Carbene-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Two Enones and an Alkyne: Access to Cyclohexenes with Four Contiguous Stereogenic Centers. Organic letters, 2015, 17, 6018-6021 |
| 1540584 | CIF | C21 H29 N O7 | P -1 | 6.1386; 8.845; 20.0476 100.943; 95.193; 92.11 | 1062.7 | Cameron, Alex; Fisher, Brendan; Fisk, Nicholas; Hummel, Jessica; White, Jonathan M.; Krenske, Elizabeth H.; Rizzacasa, Mark A. Towards the Synthesis of Dihydrooxepino[4,3-b]pyrrole-Containing Natural Products via Cope Rearrangement of Vinyl Pyrrole Epoxides. Organic letters, 2015, 17, 5998-6001 |
| 1540588 | CIF | C58 H72 Br4 N9 O10 Yb | P 1 21/n 1 | 16.2698; 15.1873; 25.1775 90; 96.682; 90 | 6179 | Decortes, Antonello; Haak, Robert M.; Martín, Carmen; Belmonte, Marta Martínez; Martin, Eddy; Benet-Buchholz, Jordi; Kleij, Arjan W. Copolymerization of CO2and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes Macromolecules, 2015, 48, 8197 |
| 1540589 | CIF | C40 H47 N2 O5 Yb | P 21 21 21 | 13.3478; 15.5479; 17.2278 90; 90; 90 | 3575.29 | Decortes, Antonello; Haak, Robert M.; Martín, Carmen; Belmonte, Marta Martínez; Martin, Eddy; Benet-Buchholz, Jordi; Kleij, Arjan W. Copolymerization of CO2and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes Macromolecules, 2015, 48, 8197 |
| 1540590 | CIF | C15 H7 F O2 | P -1 | 7.2431; 9.1369; 9.4709 67.245; 89.096; 67.767 | 528.73 | Wu, Xunshen; Yang, Yang; Han, Jianwei; Wang, Limin Palladium Catalyzed C-I and Vicinal C-H Dual Activation of Diaryliodonium Salts for Diarylation: Synthesis of 4,5-Benzocoumarins. Organic letters, 2015, 17, 5654-5657 |
| 1540591 | CIF | C23 H31 N O2 | P 1 21/c 1 | 12.335; 13.08; 12.657 90; 102.79; 90 | 1991.4 | Wang, Xinbo; Pan, Yupeng; Huang, Kuo-Wei; Lai, Zhiping One-Pot Synthesis of N-(α-Peroxy)Indole/Carbazole via Chemoselective Three-Component Condensation Reaction in Open Atmosphere. Organic letters, 2015, 17, 5630-5633 |
| 1540592 | CIF | C12 H12 O2 | P 1 21/c 1 | 11.418; 10.794; 17.585 90; 102.207; 90 | 2118 | Mao, Wenbin; Zhu, Chen Synergistic Acid-Promoted Synthesis of Highly Substituted Butenolides via the Annulation of Keto Acids and Tertiary Alcohols. Organic letters, 2015, 17, 5710-5713 |
| 1540593 | CIF | C33 H24 F3 N O4 S | P -1 | 14.2696; 14.853; 14.948 67.375; 72.768; 89.623 | 2772.3 | Nayak, Sanatan; Ghosh, Nayan; Prabagar, B.; Sahoo, Akhila K. p-TsOH Promoted Au(I)-Catalyzed Consecutive Endo Cyclization of Yne-Tethered Ynamide: Access to Benzofused Dihydroisoquinolones. Organic letters, 2015, 17, 5662-5665 |
| 1540594 | CIF | C21 H16 O4 | P b c a | 11.3289; 14.3997; 19.8404 90; 90; 90 | 3236.6 | Zheng, Yang; Mao, Jincheng; Weng, Yuecheng; Zhang, Xiaolu; Xu, Xinfang Cyclopentadiene Construction via Rh-Catalyzed Carbene/Alkyne Metathesis Terminated with Intramolecular Formal [3 + 2] Cycloaddition. Organic letters, 2015, 17, 5638-5641 |
| 1540595 | CIF | C15 H15 N O4 S | P 21 21 21 | 8.1024; 11.3536; 14.828 90; 90; 90 | 1364 | Kong, Jongrock; McLaughlin, Mark; Belyk, Kevin; Mondschein, Ryan Enantioselective Rh(I)-Catalyzed Addition of Arylboronic Acids to Cyclic Ketimines. Organic letters, 2015, 17, 5520-5523 |
| 1540596 | CIF | C20 H16 Br N O4 | P 21 21 21 | 8.1709; 8.6771; 25.4706 90; 90; 90 | 1805.86 | Skrzyńska, Anna; Przydacz, Artur; Albrecht, Łukasz Organocatalytic Nonclassical Trienamine Activation in the Remote Alkylation of Furan Derivatives. Organic letters, 2015, 17, 5682-5685 |
| 1540597 | CIF | C22 H15 Cl F3 N O3 S | P 1 21/n 1 | 10.3902; 11.1304; 17.5579 90; 95.9749; 90 | 2019.49 | Huang, Zhongyan; Wang, Chen; Tokunaga, Etsuko; Sumii, Yuji; Shibata, Norio Stereoselective Synthesis of β-Lactam-triflones under Catalyst-Free Conditions. Organic letters, 2015, 17, 5610-5613 |
| 1540598 | CIF | C21 H21 N Si | P -1 | 10.2204; 10.3756; 18.4485 95.235; 105.12; 108.782 | 1754.9 | Hao, Wei; Wang, Han; Ye, Qingyu; Zhang, Wen-Xiong; Xi, Zhenfeng Cyclopentadiene-Phosphine/Palladium-Catalyzed Synthesis of Indolizines from Pyrrole and 1,4-Dibromo-1,3-butadienes. Organic letters, 2015, 17, 5674-5677 |
| 1540599 | CIF | C23 H17 N O3 | P 21 21 21 | 7.2793; 12.9826; 18.8537 90; 90; 90 | 1781.8 | Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K. Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination. Organic letters, 2015, 17, 5678-5681 |
| 1540600 | CIF | C29 H18 Cl N O | P -1 | 9.6188; 10.5071; 11.1216 94.256; 104.939; 102.615 | 1049.6 | Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K. Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination. Organic letters, 2015, 17, 5678-5681 |
| 1540601 | CIF | C20 H21 N O2 | P n a 21 | 7.5747; 10.8659; 20.7341 90; 90; 90 | 1706.54 | Karmakar, Raju; Suneja, Arun; Bisai, Vishnumaya; Singh, Vinod K. Ni(II)-Catalyzed Highly Stereo- and Regioselective Syntheses of Isoindolinones and Isoquinolinones from in Situ Prepared Aldimines Triggered by Homoallylation/Lactamization Cascade. Organic letters, 2015, 17, 5650-5653 |
| 1540602 | CIF | C13 H12 O2 | P -1 | 8.1069; 8.3799; 8.9188 102.823; 100.864; 113.21 | 516.59 | Sekine, Kohei; Sadamitsu, Yuta; Yamada, Tohru SilverCatalyzed Cascade Carboxylation and Cyclization of Trimethyl(2-methylenebut-3-yn-1-yl)silane Derivatives. Organic letters, 2015, 17, 5706-5709 |
| 1540603 | CIF | C15 H12 B N3 O | P c a 21 | 7.6982; 5.5273; 29.041 90; 90; 90 | 1235.7 | Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K. Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach. Organic letters, 2015, 17, 5594-5597 |
| 1540604 | CIF | C15 H13 B N4 | P b c a | 10.6778; 8.9179; 27.039 90; 90; 90 | 2574.75 | Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K. Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach. Organic letters, 2015, 17, 5594-5597 |
| 1540605 | CIF | C38 H25 O P | P -1 | 10.332; 10.435; 13.632 67.996; 82.773; 76.624 | 1324.5 | Wu, Bin; Chopra, Rena; Yoshikai, Naohiko One-Pot Benzo[b]phosphole Synthesis through Sequential Alkyne Arylmagnesiation, Electrophilic Trapping, and Intramolecular Phospha-Friedel-Crafts Cyclization. Organic letters, 2015, 17, 5666-5669 |
| 1540606 | CIF | C12 H17 N O3 S2 | P 21 21 21 | 8.7469; 13.4624; 24.6866 90; 90; 90 | 2906.95 | Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H. Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters. Organic letters, 2015, 17, 5614-5617 |
| 1540607 | CIF | C15 H21 N O3 S | P 21 21 21 | 5.9251; 14.3949; 17.8151 90; 90; 90 | 1519.47 | Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H. Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters. Organic letters, 2015, 17, 5614-5617 |
| 1540608 | CIF | C32 H37 Br Cl N3 O6 S2 | P 1 | 9.9554; 13.0776; 14.9103 75.045; 78.893; 69.659 | 1747.12 | Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H. Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters. Organic letters, 2015, 17, 5614-5617 |
| 1540609 | CIF | C20 H20 N2 O S | P 1 21/n 1 | 10.5944; 5.6765; 27.958 90; 94.681; 90 | 1675.8 | Zhu, Longzhi; Qiu, Renhua; Cao, Xin; Xiao, Song; Xu, Xinhua; Au, Chak-Tong; Yin, Shuang-Feng Copper-Mediated Remote C-H Bond Chalcogenation of Quinolines on the C5 Position. Organic letters, 2015, 17, 5528-5531 |
| 1540610 | CIF | C23 H30 N2 O4 S | P 1 21/n 1 | 7.7796; 34.171; 8.2694 90; 93.715; 90 | 2193.7 | Shen, Mei-Hua; Xu, Ke; Sun, Chu-Han; Xua, Hua-Dong Stereoselective Construction of Bridged trans-aza-Bicyclo[7/6,3/2,1]alkenyl Imines through Ring Expansion aza-Cope Rearrangement. Organic letters, 2015, 17, 5598-5601 |
| 1540611 | CIF | C60 H56 Si4 | P b c a | 16.685; 16.536; 37.285 90; 90; 90 | 10287 | Fu, Xiangyu; Zhao, Dahui Cyclo-oligomerization of 6,12-Diethynyl Indeno[1,2-b]fluorenes via Diradical Intermediates. Organic letters, 2015, 17, 5694-5697 |
| 1540612 | CIF | C20 H22 O4 | P 1 21/n 1 | 8.1446; 8.8894; 22.8882 90; 97.4066; 90 | 1643.29 | Mackay, Emily G.; Nörret, Marck; Wong, Leon S.-M.; Louis, Ignace; Lawrence, Andrew L.; Willis, Anthony C.; Sherburn, Michael S. A Domino Diels-Alder Approach toward the Tetracyclic Nicandrenone Framework. Organic letters, 2015, 17, 5517-5519 |
| 1540613 | CIF | C20 H22 O4 | P 1 21/c 1 | 14.271; 7.3032; 15.87 90; 97.862; 90 | 1638.5 | Mackay, Emily G.; Nörret, Marck; Wong, Leon S.-M.; Louis, Ignace; Lawrence, Andrew L.; Willis, Anthony C.; Sherburn, Michael S. A Domino Diels-Alder Approach toward the Tetracyclic Nicandrenone Framework. Organic letters, 2015, 17, 5517-5519 |
| 1540614 | CIF | C15 H14 N2 O7 | P -1 | 6.8857; 7.8782; 14.23 73.669; 85.904; 80.621 | 730.62 | Wagner, Frederic; Harms, Klaus; Koert, Ulrich Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes. Organic letters, 2015, 17, 5670-5673 |
| 1540615 | CIF | C13 H10 N2 O7 | P -1 | 6.4851; 8.2205; 12.0587 92.463; 91.458; 99.303 | 633.47 | Wagner, Frederic; Harms, Klaus; Koert, Ulrich Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes. Organic letters, 2015, 17, 5670-5673 |
| 1540616 | CIF | C15 H16 O5 | P -1 | 7.9292; 8.4053; 10.7094 93.039; 104.73; 106.745 | 654.85 | Wagner, Frederic; Harms, Klaus; Koert, Ulrich Hauser-Heck: Efficient Synthesis of γ-Aryl-β-ketoesters en Route to Substituted Naphthalenes. Organic letters, 2015, 17, 5670-5673 |
| 1540617 | CIF | C30 H26 O3 S | P 1 n 1 | 14.188; 5.8892; 15.3276 90; 103.795; 90 | 1243.77 | Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters, 2015, 17, 5702-5705 |
| 1540618 | CIF | C24 H20 O2 | P -1 | 7.1637; 11.4472; 11.9023 79.27; 77.811; 87.147 | 937.3 | Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters, 2015, 17, 5702-5705 |
| 1540619 | CIF | C24 H21 F O3 S | P 1 21/n 1 | 15.3544; 5.9154; 21.8657 90; 90.554; 90 | 1985.91 | Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters, 2015, 17, 5702-5705 |
| 1540620 | CIF | C30 H26 O3 S | P c a 21 | 16.1272; 8.2497; 17.782 90; 90; 90 | 2365.8 | Chang, Meng-Yang; Cheng, Yu-Chieh Bi(OTf)3 Mediated exo-Olefin Isomerization of α-Benzoyl β-Styrylsulfones. Organic letters, 2015, 17, 5702-5705 |
| 1540621 | CIF | C14 H11 Br N4 O | P 1 21/c 1 | 14.7522; 13.9738; 6.7673 90; 100.152; 90 | 1373.2 | Rajamanickam, Suresh; Majji, Ganesh; Santra, Sourav Kumar; Patel, Bhisma K. Bu4NI Catalyzed C-N Bond Formation via Cross-Dehydrogenative Coupling of Aryl Ethers (Csp3-H) and Tetrazoles (N-H). Organic letters, 2015, 17, 5586-5589 |
| 1540622 | CIF | C27 H20 Cl F3 N2 O3 | C 1 2 1 | 19.9301; 11.6169; 12.0116 90; 106.035; 90 | 2672.8 | Zhou, Ding; Huang, Zheng; Yu, Xueting; Wang, Youxin; Li, Jian; Wang, Wei; Xie, Hexin A Quinine-Squaramide Catalyzed Enantioselective Aza-Friedel-Crafts Reaction of Cyclic Trifluoromethyl Ketimines with Naphthols and Electron-Rich Phenols. Organic letters, 2015, 17, 5554-5557 |
| 1540623 | CIF | C17 H17 N O | P n m a | 17.598; 6.875; 10.631 90; 90; 90 | 1286.2 | Das, Sajal; Hong, Dongsub; Chen, Zhiwei; She, Zhigang; Hersh, William H.; Subramaniam, Gopal; Chen, Yu Auto-Tandem Palladium Catalysis: From Isoxazole to 2-Azafluorenone. Organic letters, 2015, 17, 5578-5581 |
| 1540624 | CIF | C17 H19 N O2 | P 1 21/c 1 | 9.5944; 19.75; 7.917 90; 90.554; 90 | 1500.1 | Das, Sajal; Hong, Dongsub; Chen, Zhiwei; She, Zhigang; Hersh, William H.; Subramaniam, Gopal; Chen, Yu Auto-Tandem Palladium Catalysis: From Isoxazole to 2-Azafluorenone. Organic letters, 2015, 17, 5578-5581 |
| 1540625 | CIF | C32 H21 O5 P W | P 1 21/c 1 | 11.521; 11.9824; 20.383 90; 98.02; 90 | 2786.34 | Zhou, Yang; Gan, Zhenjie; Su, Bo; Li, Jun; Duan, Zheng; Mathey, François Intramolecular, Pd/Cu-Co-catalyzed P-C Bond Cleavage and Addition onto an Alkyne: A Route to Benzophospholes. Organic letters, 2015, 17, 5722-5724 |
| 1540626 | CIF | C54 H78 Mo N2 O2 | P 1 | 10.0435; 10.3143; 12.8862 74.5019; 87.313; 78.6415 | 1261.15 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540627 | CIF | C60 H82 Cl2 Mo N2 O2 | P -1 | 11.7691; 14.1045; 18.0657 83.543; 81.066; 74.829 | 2851.1 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540628 | CIF | C80 H106 F10 Mo2 N4 O4 | P 1 21/n 1 | 14.2727; 15.4944; 18.0242 90; 98.4505; 90 | 3942.7 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540629 | CIF | C114 H158 Mo2 N10 O8 | P -1 | 13.0178; 13.4853; 16.9177 106.113; 96.4972; 92.7062 | 2825.3 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540630 | CIF | C124 H182 Mo2 N4 O4 | C 1 2/c 1 | 40.815; 17.0938; 16.3488 90; 94.82; 90 | 11365.9 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540631 | CIF | C104 H140 F10 Mo2 N8 O8 | P -1 | 18.7522; 22.6704; 25.8469 79.933; 81.162; 81.434 | 10605.9 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540632 | CIF | C28 H44 Cl2 Mo N2 O2 | P -1 | 10.0491; 10.6022; 15.6133 92.902; 90.577; 112.932 | 1529.2 | Al-Khafaji, Yahya; Prior, Timothy; Elsegood, Mark; Redshaw, Carl Molybdenum (VI) Imido Complexes Derived from Chelating Phenols: Synthesis, Characterization and ɛ-Caprolactone ROP Capability Catalysts, 2015, 5, 1928 |
| 1540633 | CIF | C26 H31 Br N2 O7 S | P 1 21/n 1 | 10.418; 14.7052; 17.8673 90; 99.129; 90 | 2702.6 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1540634 | CIF | C26 H29 Br N2 O7 S | P -1 | 8.3812; 13.0305; 13.2656 64.054; 83.078; 86.643 | 1293.2 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1540635 | CIF | C48 H54 Br2 N4 O10 S2 | P 1 21/n 1 | 15.9728; 14.008; 22.8933 90; 109.716; 90 | 4822 | Mizoguchi, Kenji; Sakamoto, Hirokazu Role ofWater Molecules to the Electronic States of M-DNA Crystals, 2015, 5, 475 |
| 1540636 | CIF | C32 H34 Cu0 N4 O8 Zn | P 1 21 1 | 11.421; 9.2213; 15.188 90; 106.112; 90 | 1536.7 | Tai, Xi-Shi; You, Hai-Ying A New 1D Chained Coordination Polymer: Synthesis, Crystal Structure, Antitumor Activity and Luminescent Property Crystals, 2015, 5, 608 |
| 1540637 | CIF | C56 H92 Cl2 N8 Nd2 O2 | P -1 | 10.049; 11.337; 14.471 82.53; 83.02; 73.74 | 1563 | Sroor, Farid; Hrib, Cristian; Edelmann, Frank New Lanthanide Alkynylamidinates and Diiminophosphinates Inorganics, 2015, 3, 429 |
| 1540638 | CIF | C38 H54 Li2 N4 O2 | P -1 | 9.6687; 9.948; 19.611 93.77; 91.33; 90.96 | 1881.4 | Sroor, Farid; Hrib, Cristian; Edelmann, Frank New Lanthanide Alkynylamidinates and Diiminophosphinates Inorganics, 2015, 3, 429 |
| 1540639 | CIF | C50 H70 Li2 N4 O2 | P -1 | 9.8768; 10.2082; 11.6883 104.144; 90.248; 104.209 | 1105.18 | Sroor, Farid; Hrib, Cristian; Edelmann, Frank New Lanthanide Alkynylamidinates and Diiminophosphinates Inorganics, 2015, 3, 429 |
| 1540640 | 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 | Sroor, Farid; Hrib, Cristian; Edelmann, Frank New Lanthanide Alkynylamidinates and Diiminophosphinates Inorganics, 2015, 3, 429 |
| 1540641 | CIF | C16 H18.37 N4 O7.68 Y | P b c a | 14.6954; 14.3307; 18.2161 90; 90; 90 | 3836.2 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540642 | CIF | C42 H36 Cl3 Dy2 N9 O9 | P 1 21/n 1 | 14.2871; 19.9839; 20.0637 90; 101.857; 90 | 5606.2 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540643 | CIF | C42 H35 Cl3 Gd2 N9 O9 | P 1 21/n 1 | 14.218; 20.386; 20.455 90; 101.982; 90 | 5800 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540644 | CIF | C16 H20 Dy N5 O11 | P -1 | 10.3419; 14.585; 15.7309 95.672; 95.377; 109.768 | 2201.46 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540645 | CIF | C32 H35 Cl N7 O8 Y | P 1 21/c 1 | 12.2901; 15.4666; 18.778 90; 100.085; 90 | 3514.3 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
| 1540646 | CIF | C44 H82 Ga2 Ho2 N2 | P -1 | 10.1896; 11.5565; 11.5966 65.09; 83.184; 84.962 | 1228.69 | Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Törnroos, Karl; Anwander, Reiner Holmium(III) Supermesityl-Imide Complexes Bearing Methylaluminato/Gallato Ligands Inorganics, 2015, 3, 500 |
| 1540647 | CIF | C44 H82 Al2 Ho2 N2 | C 1 2/c 1 | 24.0888; 11.7687; 20.4327 90; 111.559; 90 | 5387.3 | Schädle, Dorothea; Maichle-Mössmer, Cäcilia; Törnroos, Karl; Anwander, Reiner Holmium(III) Supermesityl-Imide Complexes Bearing Methylaluminato/Gallato Ligands Inorganics, 2015, 3, 500 |
| 1540648 | CIF | C81 H141 K2 La2 N4 O13 Si4 | P c c n | 20.3261; 54.668; 16.5827 90; 90; 90 | 18426.5 | Kotyk, Christopher M.; Fieser, Megan E.; Palumbo, Chad T.; Ziller, Joseph W.; Darago, Lucy E.; Long, Jeffrey R.; Furche, Filipp; Evans, William J. Isolation of +2 rare earth metal ions with three anionic carbocyclic rings: bimetallic bis(cyclopentadienyl) reduced arene complexes of La2+and Ce2+are four electron reductants Chem. Sci., 2015, 6, 7267 |
| 1540649 | CIF | C11 H10 Br N2 S | P 1 21/c 1 | 7.687; 5.6405; 26.624 90; 97.533; 90 | 1144.4 | Shen, Tao; Huang, Xiaoqiang; Liang, Yu-Feng; Jiao, Ning Cu-Catalyzed Transformation of Alkynes and Alkenes with Azide and Dimethyl Sulfoxide Reagents. Organic letters, 2015, 17, 6186-6189 |
| 1540688 | CIF | C15 H26 O4 | P 21 21 21 | 8.28899; 11.8587; 15.3047 90; 90; 90 | 1504.4 | Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions. Journal of natural products, 2015, 78, 3058-3066 |
| 1540689 | CIF | C24 H32 O6 | P 21 21 21 | 6.30022; 15.0054; 23.3482 90; 90; 90 | 2207.28 | Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions. Journal of natural products, 2015, 78, 3058-3066 |
| 1540690 | CIF | C32 H41.41 O8.71 | P 21 21 21 | 10.0518; 13.1222; 21.7957 90; 90; 90 | 2874.89 | Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions. Journal of natural products, 2015, 78, 3058-3066 |
| 1540691 | CIF | C16 H20 O6 | P 21 21 21 | 7.3761; 8.0325; 24.6298 90; 90; 90 | 1459.28 | Kim, Dong-Cheol; Quang, Tran Hong; Ngan, Nguyen Thi Thanh; Yoon, Chi-Su; Sohn, Jae Hak; Yim, Joung Han; Feng, Yu; Che, Yongsheng; Kim, Youn-Chul; Oh, Hyuncheol Dihydroisocoumarin Derivatives from Marine-Derived Fungal Isolates and Their Anti-inflammatory Effects in Lipopolysaccharide-Induced BV2 Microglia. Journal of natural products, 2015, 78, 2948-2955 |
| 1540696 | CIF | C12 H21 N O5 S | P 21 21 21 | 9.0359; 10.9281; 15.2645 90; 90; 90 | 1507.3 | Hakamata, Wataru; Koyama, Ryosuke; Tanida, Mizuki; Haga, Tomomi; Hirano, Takako; Akao, Makoto; Kumagai, Hitomi; Nishio, Toshiyuki A Simple Synthesis of Alliin and allo-Alliin: X-ray Diffraction Analysis and Determination of Their Absolute Configurations. Journal of agricultural and food chemistry, 2015, 63, 10778-10784 |
| 1540706 | CIF | C7 H5 N O4 | P -1 | 4.9472; 7.4767; 10.3691 68.856; 86.708; 70.864 | 337.15 | Zhurov, Vladimir V.; Pinkerton, A. Alan Inter- and Intramolecular Interactions in Crystalline 2-Nitrobenzoic Acid-An Experimental and Theoretical QTAIM Analysis. The journal of physical chemistry. A, 2015, 119, 13092-13100 |
| 1540712 | CIF | C57 H49 B2 F24 P2 Rh | P 1 21/c 1 | 12.721; 26.545; 18.27 90; 107.2; 90 | 5893 | Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies Chem. Sci., 2015 |
| 1540713 | CIF | C57 H61 B2 F24 P2 Rh | P 1 21/n 1 | 13.155; 13.139; 35.677 90; 95.41; 90 | 6139 | Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies Chem. Sci., 2015 |
| 1540714 | CIF | C53 H57 B2 F24 P2 Rh | P -1 | 12.494; 13.356; 18.152 102.66; 92.36; 90.85 | 2952 | Hooper, Thomas N.; Weller, Andrew; Beattie, Nicholas A.; Macgregor, Stuart Alan Dehydrocoupling of Phosphine-Boranes Using the [RhCp*Me(PMe3)(CH2Cl2)][BArF4] Precatalyst: Stoichiometric and Catalytic Studies Chem. Sci., 2015 |
| 1541911 | CIF | C30 H60 Ce O2 Si4 | P 1 21/c 1 | 11.199; 34.737; 10.931 90; 116.801; 90 | 3796 | Sutton, Andrew; Clark, David; Scott, Brian; Gordon, John Synthesis and Characterization of Cerium(IV) Metallocenes Inorganics, 2015, 3, 589 |
| 1542771 | CIF Paper | C36 H30 B Cl F4 N2 O2 P2 Ru | P 1 21/c 1 | 19.0673; 9.8391; 20.5654 90; 117.58; 90 | 3419.8 | Casaretto, Nicolas; Pillet, Sebastien; Bendeif, El Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)~2~(PPh~3~)~2~]BF~4~ unravelled by photocrystallographic and IR analysis IUCrJ, 2015, 2, 35-44 |
| 1542772 | CIF | C4 H12 K Na O10 | P 21 21 2 | 11.9247; 14.3066; 6.2444 90; 90; 90 | 1065.31 | Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K IUCrJ, 2015, 2, 19-28 |
| 1542773 | CIF | C61 H40 Ag4 F28 N4 O8 | P -1 | 10.6531; 11.2628; 14.4311 72.401; 86.598; 82.882 | 1637.3 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542774 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.1146; 22.7107; 13.2046 90; 111.785; 90 | 3095.07 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542775 | CIF | C28 H18 Ag2 F14 N2 O4 | P 1 21/c 1 | 11.375; 22.5963; 13.346 90; 113.472; 90 | 3146.5 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542776 | CIF | C20 H8 Ag2 F14 N2 O4 | C 1 2/c 1 | 27.578; 9.267; 21.211 90; 118.142; 90 | 4780 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542777 | CIF | C20 H8 Ag2 F14 N2 O4 | P -1 | 10.782; 11.006; 12.54 71.569; 76.089; 62.229 | 1241.4 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542778 | CIF | C62.275 H42.55 Ag4 F28 N4 O8 | P -1 | 10.6658; 11.2395; 14.325 72.054; 86.608; 83.149 | 1621.6 | Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ, 2015, 2, 188-197 |
| 1542779 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.843; 12.245; 15.7202 90; 109.498; 90 | 4507.9 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542780 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.746; 12.2117; 15.6525 90; 109.192; 90 | 4467.2 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542781 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.817; 12.241; 15.714 90; 109.39; 90 | 4503 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542782 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.638; 12.1718; 15.5632 90; 108.782; 90 | 4418.7 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542783 | CIF | C54 H42 N2 O8 Zn2 | C 1 c 1 | 24.525; 12.1433; 15.4964 90; 108.492; 90 | 4376.8 | Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ, 2015, 2, 317-321 |
| 1542784 | CIF | C39 H46 N6 O7 | P 1 c 1 | 9.076; 8.9616; 22.501 90; 93.554; 90 | 1826.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542785 | CIF | C31 H34 N4 O7 | P 1 21/c 1 | 15.831; 9.3122; 20.211 90; 104.415; 90 | 2885.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542786 | CIF | C27 H30 N2 O9 | P -1 | 9.3506; 10.912; 13.002 76.798; 84.048; 81.58 | 1274.26 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542787 | CIF | C27 H30 N2 O8 | P -1 | 9.3202; 10.7538; 12.9869 79.471; 85.133; 82.377 | 1266 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542788 | CIF | C29 H26 N2 O9 | P -1 | 9.8334; 10.7098; 13.079 102.815; 95.031; 106.846 | 1268.3 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542789 | CIF | C29 H18 N2 O8 | P -1 | 9.806; 10.778; 13.055 102.833; 94.525; 106.943 | 1271.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542790 | CIF | C30 H22 N3 O7 | P -1 | 9.844; 10.636; 13.071 98.324; 94.601; 107.947 | 1276.9 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542791 | CIF | C45 H36 N6 O8 | P -1 | 10.0222; 12.8756; 15.0597 81.685; 83.118; 76.273 | 1860.6 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542792 | CIF | C31 H28 N2 O9 | P -1 | 10.1899; 11.6532; 13.0214 97.351; 95.446; 115.237 | 1367.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542793 | CIF | C31 H28 N2 O8 | P -1 | 10.0381; 11.5707; 13.0194 76.744; 84.502; 65.573 | 1340.13 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542794 | CIF | C30 H26 N3 O8 | P -1 | 9.9867; 11.2949; 13.04 79.558; 85.192; 66.082 | 1322.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542795 | CIF | C39 H30 N4 O7 | P 1 21/c 1 | 18.0656; 11.6584; 16.661 90; 115.565; 90 | 3165.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542796 | CIF | C27 H20 N2 O7 | C 1 2/c 1 | 21.831; 12.904; 15.876 90; 101.912; 90 | 4376.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542797 | CIF | C31 H30 N2 O8 | P -1 | 9.8782; 11.5881; 13.041 76.595; 85.792; 67.035 | 1336.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542798 | CIF | C39 H34 N4 O7 | P 1 21/c 1 | 20.028; 10.5025; 16.5786 90; 108.851; 90 | 3300.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542799 | CIF | C27 H22 N2 O7 | P 1 21/c 1 | 13.3624; 10.554; 32.5542 90; 95.517; 90 | 4569.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542800 | CIF | C29 H26 N4 O8 | P -1 | 10.0918; 11.4244; 13.052 98.573; 95.19; 115.078 | 1327.7 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542801 | CIF | C25 H18 N4 O7 | C 1 2/c 1 | 21.647; 12.8623; 15.712 90; 101.543; 90 | 4286.2 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542802 | CIF | C31 H26 N2 O9 | P -1 | 8.1859; 12.787; 13.173 83.634; 83.848; 73.246 | 1308.1 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542803 | CIF | C33 H22 N3 O7 | P -1 | 8.416; 12.297; 13.111 87.1; 84.103; 73.503 | 1293.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542804 | CIF | C58 H42 N7 O8 | P -1 | 9.9945; 13.4346; 17.822 81.016; 78.335; 86.046 | 2313.09 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542805 | CIF | C33 H22 N3 O8 | P -1 | 9.48; 11.2614; 13.5129 104.785; 108.855; 90.687 | 1312.95 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542806 | CIF | C33 H22 N3 O7 | P -1 | 4.983; 15.381; 18.142 112.21; 94.99; 94.92 | 1271.77 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542807 | CIF | C29 H21 N2 O7 S | P -1 | 9.8066; 10.4874; 13.0073 97.993; 94.646; 108.15 | 1247.8 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542808 | CIF | C69 H50 N6 O14 S6 | P -1 | 12.547; 13.299; 18.49 94.246; 90.204; 98.776 | 3040.5 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542809 | CIF | C30 H20 N2 O7 S | P -1 | 9.974; 11.421; 13.009 78.51; 85.22; 66.39 | 1330.63 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542810 | CIF | C90 H63 N6 O14 | P -1 | 12.664; 13.235; 22.191 104.03; 96.59; 104.04 | 3440.59 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542811 | CIF | C34 H24 N2 O7 | P -1 | 10.5919; 11.6067; 11.6919 85.133; 72.938; 75.632 | 1331.01 | Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ, 2015, 2, 402-408 |
| 1542812 | CIF Paper | C12 H19 N3 O3 S | P 1 21/n 1 | 7.2731; 15.9052; 12.7766 90; 99.291; 90 | 1458.61 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542813 | CIF Paper | C13 H20 N2 O3 S | P 1 21/n 1 | 7.302; 17.189; 12.2835 90; 106.76; 90 | 1476.3 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542814 | CIF Paper | C12 H17 Cl N2 O3 S | P 21 21 21 | 7.1564; 13.369; 15.276 90; 90; 90 | 1461.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542815 | CIF Paper | C12 H19 N3 O3 S | P 21 21 21 | 7.0957; 13.128; 15.3425 90; 90; 90 | 1429.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542816 | CIF Paper | C12 H17 Br N2 O3 S | P 21 21 21 | 7.156; 13.538; 15.406 90; 90; 90 | 1492.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542817 | CIF Paper | C12 H18 N2 O3 S | P 1 21/n 1 | 5.3367; 15.9206; 16.07 90; 98.308; 90 | 1351 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542818 | CIF Paper | C12 H17 Cl N2 O3 S | P 1 21/c 1 | 9.8782; 14.172; 10.8753 90; 112.85; 90 | 1403 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542819 | CIF Paper | C12 H18 N2 O3 S | P 21 21 21 | 7.07; 12.7624; 14.977 90; 90; 90 | 1351.4 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542820 | CIF Paper | C11 H15 Cl N2 O3 S | C 1 2/c 1 | 25.701; 6.8096; 19.177 90; 127.4; 90 | 2666.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542821 | CIF Paper | C11 H15 Br N2 O3 S | C 1 2/c 1 | 25.914; 6.8687; 19.202 90; 126.873; 90 | 2734.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542822 | CIF Paper | C12 H18 N2 O3 S | P -1 | 5.21; 8.449; 16.104 82.894; 82.798; 81.772 | 692 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542823 | CIF Paper | C11 H15 Cl N2 O3 S | P 1 21/c 1 | 10.521; 13.7661; 10.3407 90; 116.31; 90 | 1342.5 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542824 | CIF Paper | C11 H16 N2 O3 S | P 21 21 21 | 7.1043; 12.7937; 14.0302 90; 90; 90 | 1275.2 | Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ, 2015, 2, 389-401 |
| 1542825 | CIF | C65 H67 Mn2 N3 O17 | P 1 21/c 1 | 19.6786; 22.7703; 14.8344 90; 104.147; 90 | 6445.5 | Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha A fluorescent paramagnetic Mn metal‒organic framework based on semi-rigid pyrene tetracarboxylic acid: sensing of solvent polarity and explosive nitroaromatics IUCrJ, 2015, 2, 552-562 |
| 1542826 | CIF | C30 H62 | P 1 21 1 | 28.172; 4.935; 10.375 90; 90.3; 90 | 1442.4 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542827 | CIF | C30 H62 | P 1 21 1 | 18.43381; 7.175975; 11.02071 90; 101.974; 90 | 1426.1 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542828 | CIF | C28 H58 | P 1 21 1 | 16.00237; 7.154313; 12.40169 90; 109.825; 90 | 1335.67 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542829 | CIF | C30 H62 | P 1 21 1 | 16.0129; 7.14458; 14.09635 90; 118.06; 90 | 1423.14 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542830 | CIF | C26 H54 | P 1 21 1 | 21.44393; 4.937406; 12.34557 90; 105.625; 90 | 1258.81 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542831 | CIF | C28 H58 | P 1 21 1 | 23.4884; 4.93921; 12.33521 90; 109.295; 90 | 1350.68 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542832 | CIF | C30 H62 | P 1 21 1 | 25.6203; 4.93638; 12.32668 90; 112.448; 90 | 1440.84 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542833 | CIF | C32 H66 | P 1 21 1 | 27.78145; 4.933812; 12.38987 90; 115.68; 90 | 1530.52 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542834 | CIF | C30 H62 | P 1 21 1 | 28.09291; 4.932501; 10.36893 90; 90.4059; 90 | 1436.77 | Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ, 2015, 2, 490-497 |
| 1542835 | CIF | C11 H12 O4 | P 1 21/c 1 | 11.216; 8.214; 14.073 90; 128.86; 90 | 1009.6 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542836 | CIF | C22 H24 O8 | P -1 | 5.54; 8.259; 11.281 83.61; 83.275; 74.48 | 492.2 | Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ, 2015, 2, 653-660 |
| 1542837 | CIF | C17 H15 B F2 O4 | C 1 2/c 1 | 21.1854; 7.0826; 10.0747 90; 98.208; 90 | 1496.2 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542838 | CIF | C16 H13 B F2 O3 | P -1 | 8.0234; 9.0901; 10.7916 75.514; 80.766; 69.797 | 712.78 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure–mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1542839 | CIF | C23 H27 B F2 O2 | C 1 2/c 1 | 28.575; 7.0402; 10.3208 90; 102.92; 90 | 2023.7 | Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ, 2015, 2, 611-619 |
| 1543882 | CIF | Ca2.8 Cr1.2 Fe2.8 La1.2 O12 | P n m a | 5.4615; 7.747; 5.462 90; 90; 90 | 231.1 | Molero-Sánchez, Beatriz; Prado-Gonjal, Jesús; Ávila-Brande, David; Birss, Viola; Morán, Emilio Microwave-assisted synthesis and characterization of new cathodic material for solid oxide fuel cells: La0.3Ca0.7Fe0.7Cr0.3O3−δ Ceramics International, 2015, 41, 8411 |
| 1544474 | CIF | Li2 Mn O3 | C 1 2/m 1 | 4.9329; 8.5351; 5.026 90; 109.314; 90 | 199.7 | Nakao, Y.; Ozawa, K.; Nemoto, Y.; Uesugi, F.; Fujii, H.; Mochiku, T. Structural variation of Li2MnO3 during charge-discharge cycling Journal of the Ceramic Society of Japan, 2015, 123, 589-594 |
| 1544863 | CIF | Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13 | C m c m | 14.9424; 10.6332; 7.0365 90; 90; 90 | 1118 | Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S. Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Sample: not annealed Journal of Mineralogical and Petrological Sciences, 2015, 110, 135-144 |
| 1544864 | CIF | Al0.44 Dy0.2 F3.83 O10.91 P0.12 Si1.91 Ti0.52 Y3.13 | C m c m | 14.934; 10.53; 6.952 90; 90; 90 | 1093.2 | Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shigeoka, M.; Momma, K.; Yamamoto, S. Mieite-(Y), Y4Ti(SiO4)2O[F,(OH)]6, a new mineral in a pegmatite at Souri Valley, Komono, Mie Prefecture, central Japan Sample: annealed at 810 C Journal of Mineralogical and Petrological Sciences, 2015, 110, 135-144 |
| 1544909 | CIF | Al0.5 La2 Li0.5 O4 | I 4/m m m | 3.7742; 3.7742; 12.753 90; 90; 90 | 181.66 | Hamao, N.; Kataoka, K.; Akimoto, J. Single-crystal synthesis and structure refinement of La2Li0.5Al0.5O4 with K2NiF4-type structure Journal of Asian Ceramic Societies, 2015, 3, 301-304 |
| 1544912 | CIF | Bi2 Cd O6 | P 3 2 1 | 9.3641; 9.3641; 4.9523 90; 90; 120 | 376.07 | Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C. Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Comments: Reported Bi3 position is apparently wrong, and I moved to ideal position, but stll discrepancies with reported Bi3-O distances Journal of Asian Ceramic Societies, 2015, 3, 251-254 |
| 1544913 | CIF | Bi0.63 Cd0.37 O1.79 | F m -3 m | 5.411; 5.411; 5.411 90; 90; 90 | 158.43 | Kumada, N.; Miura, A.; Takei, T.; Nishimoto, S.; Kameshima, Y.; Miyake, M.; Kuroiwa, Y.; Moriyoshi, C. Hydrothermal synthesis and crystal structure analysis of two new cadmium bismuthates, CdBi2O6 and Cd0.37Bi0.63O1.79 Journal of Asian Ceramic Societies, 2015, 3, 251-254 |
| 1547211 | CIF | C19 H22 N2 O | P -1 | 11.198; 12.291; 13.361 93.151; 97.65; 92.66 | 1817.13 | Maheshwaran Velusamy; Sethuvasan Sreenivasan; Ravichandran Kandasamy; Ponnuswamy Subbu; Sugumar Paramasivam; Ponnuswamy Mondikalipudur Nanjappagounder Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives Chemistry Central Journal, 2015, 9, 17 |
| 1547212 | CIF | C19 H21 N3 O2 | P -1 | 9.1789; 12.7776; 16.0615 89.255; 86.758; 70.507 | 1772.9 | Maheshwaran Velusamy; Sethuvasan Sreenivasan; Ravichandran Kandasamy; Ponnuswamy Subbu; Sugumar Paramasivam; Ponnuswamy Mondikalipudur Nanjappagounder Synthesis, crystal structures and docking studies of 2,7-diphenyl-1,4-diazepan-5-one derivatives Chemistry Central Journal, 2015, 9, 17 |
| 1547278 | CIF | C7 H3 N2 O9 Sm | P 1 21/n 1 | 9.361; 8.3498; 16.7159 90; 106.31; 90 | 1253.98 | KRANTHI KUMAR GANGU; ANIMA S DADHICH; SARATCHANDRA BABU MUKKAMALA Hydrothermal synthesis, crystal structure and luminescence property of a three dimensional Sm(III) coordination polymer with 2,5-pyridinedicarboxylic acid Journal of Chemical Sciences, 2015, 127, 2225-2230 |
| 1547408 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4393; 8.1764; 21.7395 90; 90; 90 | 2566.6 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547409 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4687; 8.1829; 21.8084 90; 90; 90 | 2582 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547410 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4829; 8.1938; 21.8441 90; 90; 90 | 2592.24 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547411 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4899; 8.2086; 21.9106 90; 90; 90 | 2606.09 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547412 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4902; 8.2249; 22.0106 90; 90; 90 | 2623.2 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547413 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4588; 8.18; 21.7664 90; 90; 90 | 2574.38 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547414 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4597; 8.1802; 21.7812 90; 90; 90 | 2576.35 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547415 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4638; 8.1835; 21.7953 90; 90; 90 | 2579.79 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547416 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4666; 8.1868; 21.8103 90; 90; 90 | 2583.11 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547417 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4701; 8.1889; 21.8216 90; 90; 90 | 2585.73 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547418 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4734; 8.1921; 21.8397 90; 90; 90 | 2589.48 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547419 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4763; 8.1946; 21.8522 90; 90; 90 | 2592.27 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547420 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4795; 8.1974; 21.8693 90; 90; 90 | 2595.76 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547421 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4814; 8.1993; 21.8844 90; 90; 90 | 2598.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547422 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4852; 8.202; 21.9002 90; 90; 90 | 2601.91 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547423 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4884; 8.2048; 21.9167 90; 90; 90 | 2605.34 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547424 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4914; 8.2069; 21.9332 90; 90; 90 | 2608.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547425 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.495; 8.2094; 21.9489 90; 90; 90 | 2611.81 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547426 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.4973; 8.2118; 21.9658 90; 90; 90 | 2615 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547427 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.5008; 8.2141; 21.9821 90; 90; 90 | 2618.31 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547428 | CIF | C11 H12 N4 O2 S | P n a 21 | 14.504; 8.2162; 21.9984 90; 90; 90 | 2621.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547429 | CIF | C11 H12 N4 O2 S | P b c a | 9.0785; 11.5265; 22.8581 90; 90; 90 | 2391.95 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547430 | CIF | C11 H12 N4 O2 S | P b c a | 9.0963; 11.5574; 22.8612 90; 90; 90 | 2403.39 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547431 | CIF | C11 H12 N4 O2 S | P b c a | 9.0885; 11.5482; 22.7898 90; 90; 90 | 2391.9 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547432 | CIF | C11 H12 N4 O2 S | P b c a | 9.0907; 11.5779; 22.8104 90; 90; 90 | 2400.82 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547433 | CIF | C11 H12 N4 O2 S | P b c a | 9.1074; 11.6193; 22.8456 90; 90; 90 | 2417.56 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547434 | CIF | C11 H12 N4 O2 S | P b c a | 9.1228; 11.6522; 22.8488 90; 90; 90 | 2428.8 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547435 | CIF | C11 H12 N4 O2 S | P b c a | 9.1349; 11.6868; 22.866 90; 90; 90 | 2441.12 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547436 | CIF | C11 H12 N4 O2 S | P b c a | 9.0823; 11.5422; 22.8439 90; 90; 90 | 2394.72 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547437 | CIF | C11 H12 N4 O2 S | P b c a | 9.0881; 11.5538; 22.8478 90; 90; 90 | 2399.07 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547438 | CIF | C11 H12 N4 O2 S | P b c a | 9.0992; 11.5635; 22.8525 90; 90; 90 | 2404.51 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547439 | CIF | C11 H12 N4 O2 S | P b c a | 9.0972; 11.5751; 22.8531 90; 90; 90 | 2406.45 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547440 | CIF | C11 H12 N4 O2 S | P b c a | 9.1048; 11.5802; 22.8576 90; 90; 90 | 2410 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547441 | CIF | C11 H12 N4 O2 S | P b c a | 9.1064; 11.5845; 22.8569 90; 90; 90 | 2411.25 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547442 | CIF | C11 H12 N4 O2 S | P b c a | 9.107; 11.5902; 22.8593 90; 90; 90 | 2412.84 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547443 | CIF | C11 H12 N4 O2 S | P b c a | 9.1066; 11.5983; 22.8627 90; 90; 90 | 2414.78 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547444 | CIF | C11 H12 N4 O2 S | P b c a | 9.1158; 11.6222; 22.8715 90; 90; 90 | 2423.14 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547445 | CIF | C11 H12 N4 O2 S | P b c a | 9.12; 11.6339; 22.8697 90; 90; 90 | 2426.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547446 | CIF | C11 H12 N4 O2 S | P b c a | 9.1237; 11.6442; 22.8738 90; 90; 90 | 2430.07 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547447 | CIF | C11 H12 N4 O2 S | P b c a | 9.128; 11.6579; 22.8759 90; 90; 90 | 2434.3 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547448 | CIF | C11 H12 N4 O2 S | P b c a | 9.1311; 11.6667; 22.88 90; 90; 90 | 2437.4 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547449 | CIF | C11 H12 N4 O2 S | P b c a | 9.1357; 11.6782; 22.8834 90; 90; 90 | 2441.4 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547450 | CIF | C11 H12 N4 O2 S | P b c a | 9.1405; 11.6923; 22.8838 90; 90; 90 | 2445.67 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547451 | CIF | C11 H12 N4 O2 S | P b c a | 9.1415; 11.7002; 22.8837 90; 90; 90 | 2447.58 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1547452 | CIF | C11 H12 N4 O2 S | P b c a | 9.1445; 11.713; 22.8862 90; 90; 90 | 2451.33 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
| 1548032 | CIF | C5 H7 N8 O0.5 Zn | P 31 2 1 | 9.6767; 9.6767; 20.172 90; 90; 120 | 1635.8 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548033 | CIF | C5 H6 N8 Zn | P 31 2 1 | 9.6963; 9.6963; 20.126 90; 90; 120 | 1638.7 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548034 | CIF | C5.7 H8.09 N8 Zn | P 31 2 1 | 9.663; 9.663; 20.224 90; 90; 120 | 1635.4 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548035 | CIF | C5.78 H7.56 N8 Zn | P 31 2 1 | 9.6896; 9.6896; 20.153 90; 90; 120 | 1638.6 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548036 | CIF | C5.13 H6 N8 O0.27 Zn | P 31 2 1 | 9.7682; 9.7682; 20.1 90; 90; 120 | 1660.9 | Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen Efficient purification of ethene by an ethane-trapping metal-organic framework Nature Communications, 2015, 6, 8697 |
| 1548069 | CIF | C68 H27 Al2 F73.75 Ga N6 O8 | C 1 2/c 1 | 25.1999; 15.4651; 24.792 90; 112.931; 90 | 8898.4 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548070 | CIF | C108 H48 Al3 F108 In3 N12 O12 | P 1 21/c 1 | 22.4009; 30.7088; 20.4177 90; 95.459; 90 | 13981.7 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548071 | CIF | C422 H184 Al12 F437 In12 N40 O48 | P -1 | 16.2891; 25.6709; 33.2531 89.47; 87.358; 81.522 | 13738.4 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548072 | CIF | C124 H48 Al4 F144 In4 N12 O16 | P -1 | 34.744; 34.792; 37.21 106.127; 101.609; 118.938 | 34671 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548073 | CIF | C86 H39 Al2 F75 In2 N6 O8 | P 1 21/c 1 | 20.2872; 28.7711; 19.7149 90; 117.303; 90 | 10225.3 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548074 | CIF | C80 H36 Ag Al2 F76 In N4 O8 | P 1 21/n 1 | 16.4785; 23.7211; 25.2293 90; 97.519; 90 | 9777 | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine Nature Communications, 2015, 6, 8288 |
| 1548158 | CIF | C23 H35 N O2 S | P 1 21/c 1 | 21.7729; 10.4524; 9.7642 90; 88.212; 90 | 2221 | M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793 |
| 1548159 | CIF | C23 H35 N O2 S | P 1 21/c 1 | 11.2235; 9.8526; 20.7922 90; 88.74; 90 | 2298.66 | M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793 |
| 1548160 | CIF | C23 H35 N O2 S | P 1 21/c 1 | 11.181; 9.809; 20.71 90; 88.545; 90 | 2271 | M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793 |
| 1548161 | CIF | C23 H35 N O2 S | P 1 21/c 1 | 10.697; 9.84; 20.854 90; 90.15; 90 | 2195.1 | M. A. Neumann; J. van de Streek; F. P. A. Fabbiani; P. Hidber; O. Grassmann Combined crystal structure prediction and high-pressure crystallization in rational pharmaceutical polymorph screening Nature Communications, 2015, 6, 7793 |
| 1548166 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.8533; 25.995; 8.1782 90; 100.741; 90 | 2058 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548167 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.865; 25.934; 8.172 90; 100.762; 90 | 2053.9 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548168 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.8591; 26.027; 8.1886 90; 100.676; 90 | 2064.8 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548169 | CIF | C16 H17 N7 O8 Zn | P 1 21/c 1 | 9.801; 27.12; 7.7592 90; 101.09; 90 | 2023.9 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548170 | CIF | C16 H17 N7 O8 Zn | P 1 21/c 1 | 9.915; 26.133; 8.3197 90; 101.9; 90 | 2109.4 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548171 | CIF | C16 H17 N7 O8 Zn | P 1 21/c 1 | 9.86; 25.836; 8.226 90; 102.973; 90 | 2042 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548172 | CIF | C16 H17 N7 O8 Zn | P 1 21/c 1 | 9.871; 26.022; 8.286 90; 101.902; 90 | 2082.6 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548173 | CIF | C17 H19 Co N7 O8 | P 1 21/c 1 | 9.699; 27.857; 7.707 90; 101.44; 90 | 2040.9 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548174 | CIF | C18 H23 Co N7 O9 | P -1 | 8.037; 15.043; 18.574 90.537; 94.769; 92.761 | 2235 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548175 | CIF | C22 H29 Co N7 O8 | P 1 21/c 1 | 11; 16.03; 15.347 90; 106.744; 90 | 2591.4 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548176 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.849; 25.942; 8.161 90; 100.764; 90 | 2048.5 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548177 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.8458; 25.898; 8.1434 90; 100.839; 90 | 2039.4 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548178 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.7984; 27.41; 7.6404 90; 100.082; 90 | 2020.3 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548179 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.7948; 27.435; 7.5979 90; 100.265; 90 | 2009 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548180 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.794; 27.475; 7.548 90; 100.433; 90 | 1997.5 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548181 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.796; 27.433; 7.5962 90; 100.288; 90 | 2008.5 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548182 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.804; 27.417; 7.659 90; 100.03; 90 | 2027.2 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548183 | CIF | C16 H17 Co N7 O8 | P 1 21/c 1 | 9.8515; 25.892; 8.1511 90; 100.82; 90 | 2042.2 | Sheng-Qun Su; Takashi Kamachi; Zi-Shuo Yao; You-Gui Huang; Yoshihito Shiota; Kazunari Yoshizawa; Nobuaki Azuma; Yuji Miyazaki; Motohiro Nakano; Goro Maruta; Sadamu Takeda; Soonchul Kang; Shinji Kanegawa; Osamu Sato Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex Nature Communications, 2015, 6, 8810 |
| 1548184 | CIF | C27 H34 Dy P | P 1 21/n 1 | 8.197; 24.7447; 11.5021 90; 94.741; 90 | 2325 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548185 | CIF | C70 H83 Dy3 P3 | C 1 c 1 | 14.8907; 18.6253; 23.5996 90; 103.258; 90 | 6370.8 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548186 | CIF | C194 H286 Dy6 Li O17 P6 | P 1 21/c 1 | 22.321; 15.7702; 27.9921 90; 95.319; 90 | 9811 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548187 | CIF | C27 H34 P Y | P 1 21/n 1 | 8.179; 24.6788; 11.5031 90; 94.707; 90 | 2314 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548188 | CIF | C70 H83 P3 Y3 | P 1 21/c 1 | 11.6328; 25.0914; 21.5705 90; 91.002; 90 | 6295.1 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548189 | CIF | C99 H147 Li3 O9 P3 Y3 | P 1 21/c 1 | 22.3184; 15.7523; 27.9702 90; 95.358; 90 | 9790.4 | Thomas Pugh; Floriana Tuna; Liviu Ungur; David Collison; Eric J.L. McInnes; Liviu F. Chibotaru; Richard A. Layfield Influencing the properties of dysprosium single-molecule magnets with phosphorus donor ligands Nature Communications, 2015, 6, 7492 |
| 1548203 | CIF | C21 H15 Am N3 O13.5 | P -1 | 11.8381; 13.3788; 15.1601 91.0206; 95.2167; 103.108 | 2327 | Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt Emergence of californium as the second transitional element in the actinide series Nature Communications, 2015, 6, 6827 |
| 1548204 | CIF | C21 H12 Cm N3 O13.3 | P -1 | 11.8146; 13.3852; 15.1717 90.9375; 95.3161; 103.111 | 2324.9 | Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt Emergence of californium as the second transitional element in the actinide series Nature Communications, 2015, 6, 6827 |
| 1548205 | CIF | C21 H12 Cf N3 O13 | P -1 | 11.7542; 13.4315; 15.1978 91.118; 95.911; 103.107 | 2322.17 | Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt Emergence of californium as the second transitional element in the actinide series Nature Communications, 2015, 6, 6827 |
| 1548208 | CIF | C40 H54 N14 O41 W12 Zn3 | P 1 21 1 | 15.088; 13.2353; 18.0221 90; 94.414; 90 | 3588.23 | Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins Nature Communications, 2015, 6, 10007 |
| 1548209 | CIF | C40 H54 N14 O41 W12 Zn3 | P 1 21 1 | 15.1029; 13.2535; 18.033 90; 94.44; 90 | 3598.8 | Qiuxia Han; Bo Qi; Weimin Ren; Cheng He; Jingyang Niu; Chunying Duan Polyoxometalate-based homochiral metal-organic frameworks for tandem asymmetric transformation of cyclic carbonates from olefins Nature Communications, 2015, 6, 10007 |
| 1548210 | CIF | C192 H216 Au38 S24 | P -1 | 21.974; 22.685; 24.846 84.189; 79.598; 69.834 | 11425 | Shubo Tian; Yi-Zhi Li; Man-Bo Li; Jinyun Yuan; Jinlong Yang; Zhikun Wu; Rongchao Jin Structural isomserism in gold nanoparticles revealed by X-ray crystallography Nature Communications, 2015, 6, 8667 |
| 1548213 | CIF | C54 H72 Al2 N6 Te2 | P 1 21/n 1 | 12.4329; 22.915; 19.419 90; 92.861; 90 | 5525.58 | Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes Nature Communications, 2015, 6, 10037 |
| 1548214 | CIF | C45 H68 Al N7 Te | P 1 21/c 1 | 12.2033; 19.649; 19.497 90; 95.069; 90 | 4656.8 | Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes Nature Communications, 2015, 6, 10037 |
| 1548215 | CIF | C72 H104 Al2 N10 Te2 | P -1 | 10.4285; 12.9619; 15.2266 107.012; 101.576; 104.722 | 1817.4 | Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes Nature Communications, 2015, 6, 10037 |
| 1548216 | CIF | C24 H16 Cd N2 O4 | P 1 21/c 1 | 10.3397; 15.6399; 14.9889 90; 100.948; 90 | 2379.77 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548217 | CIF | C24 H16 Cd N2 O4 | P 1 21/c 1 | 10.10785; 17.0515; 14.7514 90; 97.9248; 90 | 2518.18 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548218 | CIF | C27 H23 Cd N3 O5 | P 1 21/c 1 | 9.442; 17.6271; 14.8977 90; 96.085; 90 | 2465.53 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548219 | CIF | C27 H23 Cd N3 O5 | P 1 21/c 1 | 9.7055; 17.8498; 14.7845 90; 94.7485; 90 | 2552.49 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548220 | CIF | C28 H25 Cd N3 O5 | P 1 21/c 1 | 9.727; 17.0204; 15.2959 90; 96.8477; 90 | 2514.29 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548221 | CIF | C28 H25 Cd N3 O5 | P 1 21/c 1 | 9.7904; 17.366; 15.2569 90; 95.4829; 90 | 2582.11 | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour Nature Communications, 2015, 6, 6917 |
| 1548222 | CIF | C9 H12 I N O3 | P 1 21 1 | 6.2312; 5.2898; 16.469 90; 96.772; 90 | 539.06 | Arianna Bertolani; Lisa Pirrie; Loic Stefan; Nikolay Houbenov; Johannes S. Haataja; Luca Catalano; Giancarlo Terraneo; Gabriele Giancane; Ludovico Valli; Roberto Milani; Olli Ikkala; Giuseppe Resnati; Pierangelo Metrangolo Supramolecular amplification of amyloid self-assembly by iodination Nature Communications, 2015, 6, 7574 |
| 1548223 | CIF | C53.66667 H31.66667 Cl2 Cu N4 | C 1 2/c 1 | 35.403; 18.9578; 23.171 90; 130.29; 90 | 11862 | Fan Wu; Jie Liu; Puneet Mishra; Tadahiro Komeda; John Mack; Yi Chang; Nagao Kobayashi; Zhen Shen Modulation of the molecular spintronic properties of adsorbed copper corroles Nature Communications, 2015, 6, 7547 |
| 1548224 | CIF | C18 H23 N O5 | P 1 21 1 | 12.6748; 5.3055; 13.6447 90; 106.479; 90 | 879.86 | Chunji Li; Joonil Cho; Kuniyo Yamada; Daisuke Hashizume; Fumito Araoka; Hideo Takezoe; Takuzo Aida; Yasuhiro Ishida Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically Nature Communications, 2015, 6, 8418 |
| 1548225 | CIF | C24 H32 O2 Si | P 21 21 21 | 7.6184; 16.5442; 18.1572 90; 90; 90 | 2288.54 | Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332 |
| 1548226 | CIF | C14 H16 O2 | P 1 21 1 | 7.2978; 6.7046; 11.4419 90; 90.391; 90 | 559.83 | Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332 |
| 1548227 | CIF | C18 H22 O5 | P -1 | 8.7788; 9.8167; 10.4098 104.353; 109.179; 98.133 | 796.13 | Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332 |
| 1548228 | CIF | C14 H18 O2 | P 21 21 21 | 15.2428; 15.4175; 21.1538 90; 90; 90 | 4971.3 | Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E Nature Communications, 2015, 6, 7332 |
| 1548229 | CIF | C18 H8 Br2 I2 O2 S8 | P 1 21/n 1 | 10.501; 11.9699; 11.0318 90; 109.896; 90 | 1303.9 | Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469 |
| 1548230 | CIF | C12 H4 Br2 I2 O2 S4 | P -1 | 7.008; 7.571; 9.696 111.669; 108.287; 93.393 | 444.9 | Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469 |
| 1548231 | CIF | C12 H4 Br3 I O2 S4 | P -1 | 8.4688; 8.7721; 11.6407 93.405; 97.351; 91.892 | 855.44 | Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469 |
| 1548232 | CIF | C12 H4 Br I3 O2 S4 | P -1 | 7.0535; 7.6622; 9.7173 111.757; 107.972; 94.14 | 453.5 | Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469 |
| 1548233 | CIF | C12 H4 I4 O2 S4 | P -1 | 7.0996; 7.7287; 9.7508 111.648; 107.843; 94.7 | 461.74 | Sachio Horiuchi; Kensuke Kobayashi; Reiji Kumai; Nao Minami; Fumitaka Kagawa; Yoshinori Tokura Quantum ferroelectricity in charge-transfer complex crystals Nature Communications, 2015, 6, 7469 |
| 1548234 | CIF | C36 H60 N7 O15.7 | P 1 21 1 | 8.9071; 39.9588; 13.1061 90; 109.226; 90 | 4404.5 | Sudipta Mondal; Lihi Adler-Abramovich; Ayala Lampel; Yaron Bram; Sophia Lipstman; Ehud Gazit Formation of functional super-helical assemblies by constrained single heptad repeat Nature Communications, 2015, 6, 8615 |
| 1548235 | CIF | H14 Mo6 N2 O24 Te | P 3 | 12.56; 12.56; 3.944 90; 90; 120 | 539 | Zhenxin Zhang; Toru Murayama; Masahiro Sadakane; Hiroko Ariga; Nobuhiro Yasuda; Norihito Sakaguchi; Kiyotaka Asakura; Wataru Ueda Ultrathin inorganic molecular nanowire based on polyoxometalates Nature Communications, 2015, 6, 7731 |
| 1548246 | CIF | C158 H140 N4 O12 Si4 | P 21 21 21 | 15.99; 28.164; 30.875 90; 90; 90 | 13904 | Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations Nature Communications, 2015, 6, 7236 |
| 1548247 | CIF | C76.5 H58 N2 O6 | P 1 21 1 | 12.65; 30.179; 16.608 90; 111.13; 90 | 5914 | Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations Nature Communications, 2015, 6, 7236 |
| 1548248 | CIF | C50 H51 N | P -1 | 9.9215; 11.522; 17.8122 104.475; 93.873; 108.095 | 1850.6 | Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215 |
| 1548249 | CIF | C55 H58 Br3 Cl5 N | P -1 | 11.6888; 15.2279; 16.1361 94.96; 111.005; 103.447 | 2561.8 | Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215 |
| 1548250 | CIF | C50.75 H48.5 Cl0.75 N | P b c a | 13.17; 34.623; 36.534 90; 90; 90 | 16659 | Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215 |
| 1548251 | CIF | C112.5 H47 Cl N O0 | P -1 | 13.462; 14.743; 18.096 98.297; 101.322; 97.33 | 3439 | Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215 |
| 1548252 | CIF | C25 H28 O5 S2 Si2 | P 1 21/n 1 | 15.4348; 7.2594; 24.961 90; 93.585; 90 | 2791.3 | Henriette Lissau; Riccardo Frisenda; Stine T. Olsen; Martyn Jevric; Christian R. Parker; Anders Kadziola; Thorsten Hansen; Herre S. J. van der Zant; Mogens Brondsted Nielsen; Kurt V. Mikkelsen Tracking molecular resonance forms of donor-acceptor push-pull molecules by single-molecule conductance experiments Nature Communications, 2015, 6, 10233 |
| 1548264 | CIF | C11.5 H7.5 Cu O5.5 | P 42/n n m | 17.9257; 17.9257; 28.0627 90; 90; 90 | 9017.4 | Jiandong Pang; Feilong Jiang; Mingyan Wu; Caiping Liu; Kongzhao Su; Weigang Lu; Daqiang Yuan; Maochun Hong A porous metal-organic framework with ultrahigh acetylene uptake capacity under ambient conditions Nature Communications, 2015, 6, 7575 |
| 1548265 | CIF | C25 H29 B2 Cl2 N2 O2 | P -1 | 9.205; 10.74; 13.922 82.773; 76.229; 74.293 | 1284.1 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
| 1548266 | CIF | C22 H26 B2 N2 O2 | P b c n | 9.3775; 22.196; 9.432 90; 90; 90 | 1963.2 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
| 1548267 | CIF | C78 H83 B4 F11 N4 O10 S2 | P -1 | 10.8994; 13.3303; 14.0182 98.334; 90.656; 109.608 | 1894.4 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
| 1548268 | CIF | C34.5 H39.5 B2 N2 O2.75 | P 1 21/n 1 | 11.3572; 9.8183; 27.031 90; 96.547; 90 | 2994.5 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
| 1548269 | CIF | C23.5 H27 B2 Cl N2 O4 | P 1 21/c 1 | 13.017; 6.3932; 27.756 90; 99.795; 90 | 2276.2 | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres Nature Communications, 2015, 6, 7340 |
| 1548270 | CIF | C30 H18 | C 1 2/c 1 | 22.535; 5.356; 16.749 90; 98.687; 90 | 1998 | Yuchen Wu; Jiangang Feng; Xiangyu Jiang; Zhen Zhang; Xuedong Wang; Bin Su; Lei Jiang Positioning and joining of organic single-crystalline wires Nature Communications, 2015, 6, 6737 |
| 1548271 | CIF | C450 H492 B24 F18 Fe42 N240 O60 S6 | P n -3 n :2 | 30.8314; 30.8314; 30.8314 90; 90; 90 | 29308 | Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato A ferromagnetically coupled Fe42 cyanide-bridged nanocage Nature Communications, 2015, 6, 5955 |
| 1548272 | CIF | C450 H548 B24 F18 Fe42 N240 O88 S6 | P n -3 n :2 | 30.7679; 30.7679; 30.7679 90; 90; 90 | 29127 | Soonchul Kang; Hui Zheng; Tao Liu; Kohei Hamachi; Shinji Kanegawa; Kunihisa Sugimoto; Yoshihito Shiota; Shinya Hayami; Masaki Mito; Tetsuya Nakamura; Motohiro Nakano; Michael L. Baker; Hiroyuki Nojiri; Kazunari Yoshizawa; Chunying Duan; Osamu Sato A ferromagnetically coupled Fe42 cyanide-bridged nanocage Nature Communications, 2015, 6, 5955 |
| 1548273 | CIF | C9 H5 Cu N5 O4 | P b c n | 12.1905; 14.4177; 20.4894 90; 90; 90 | 3601.2 | Tong-Liang Hu; Hailong Wang; Bin Li; Rajamani Krishna; Hui Wu; Wei Zhou; Yunfeng Zhao; Yu Han; Xue Wang; Weidong Zhu; Zizhu Yao; Shengchang Xiang; Banglin Chen Microporous metal-organic framework with dual functionalities for highly efficient removal of acetylene from ethylene/acetylene mixtures Nature Communications, 2015, 6, 7328 |
| 1548274 | CIF | C48 H42 B Cl0.25 F24 Na O9 | C 1 2/m 1 | 18.3769; 16.7983; 18.7409 90; 107.372; 90 | 5521.4 | Rene-Chris Brachvogel; Frank Hampel; Max von Delius Self-assembly of dynamic orthoester cryptates Nature Communications, 2015, 6, 7129 |
| 1548275 | CIF | C18 H20 Mg2 N2 O10 | C 1 2/c 1 | 22.2003; 7.3575; 15.5257 90; 130.588; 90 | 1925.8 | Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand Nature Communications, 2015, 6, 5851 |
| 1548276 | CIF | C32 H30 Mg2 N4 O12 | C 1 2/c 1 | 18.2716; 17.2585; 13.5539 90; 129.666; 90 | 3290.1 | Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand Nature Communications, 2015, 6, 5851 |
| 1548277 | CIF | C39 H31 Ca2 N5 O13 | C 1 2/c 1 | 21.47; 19.39; 10.099 90; 119.867; 90 | 3646 | Shin-ichiro Noro; Junya Mizutani; Yuh Hijikata; Ryotaro Matsuda; Hiroshi Sato; Susumu Kitagawa; Kunihisa Sugimoto; Yasutaka Inubushi; Kazuya Kubo; Takayoshi Nakamura Porous coordination polymers with ubiquitous and biocompatible metals and a neutral bridging ligand Nature Communications, 2015, 6, 5851 |
| 1548294 | CIF | C27 H26 O5 S | P 1 | 4.6598; 11.2839; 12.0321 115.307; 97.601; 94.255 | 560.85 | Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity Nature Communications, 2015, 6, 7239 |
| 1548295 | CIF | C48 H50 O6 S | P 1 21 1 | 13.673; 7.849; 18.491 90; 95.18; 90 | 1976.3 | Pratap S. Patil; Ting-Jen Rachel Cheng; Medel Manuel L. Zulueta; Shih-Ting Yang; Larry S. Lico; Shang-Cheng Hung Total synthesis of tetraacylated phosphatidylinositol hexamannoside and evaluation of its immunomodulatory activity Nature Communications, 2015, 6, 7239 |
| 1548302 | CIF | C158 H152 B2 F48 Pd10 | P 1 21/n 1 | 10.511; 20.522; 35.439 90; 94.2797; 90 | 7623.1 | Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742 |
| 1548303 | CIF | C152 H146 B2 F48 O2 Pd10 | P -1 | 19.4381; 21.7533; 22.0547 86.871; 84.951; 66.93 | 8544.5 | Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742 |
| 1548304 | CIF | C162 H154 B2 F48 Pd5 | P -1 | 17.1352; 20.7763; 23.2367 104.581; 90.8059; 105.76 | 7674.7 | Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742 |
| 1548305 | CIF | C162 H154 B2 F48 Pd7 | P -1 | 17.1345; 20.7478; 23.226 104.412; 90.6725; 105.167 | 7692.4 | Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742 |
| 1548306 | CIF | C162 H154 B2 F48 Pd5 Pt3 | P -1 | 17.0309; 20.8251; 23.3934 75.2877; 89.9715; 74.2761 | 7703.8 | Shinnosuke Horiuchi; Yuki Tachibana; Mitsuki Yamashita; Koji Yamamoto; Kohei Masai; Kohei Takase; Teruo Matsutani; Shiori Kawamata; Yuki Kurashige; Takeshi Yanai; Tetsuro Murahashi Multinuclear metal-binding ability of a carotene Nature Communications, 2015, 6, 6742 |
| 1548307 | CIF | C31 H37 B F2 N3 P | P 1 21/c 1 | 8.4508; 41.4961; 8.07 90; 94.122; 90 | 2822.6 | Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin An allosteric photoredox catalyst inspired by photosynthetic machinery Nature Communications, 2015, 6, 6541 |
| 1548308 | CIF | C80 H70 N4 P2 S2 Zn | C 1 2/c 1 | 28.4395; 18.7648; 16.3621 90; 123.051; 90 | 7318.9 | Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin An allosteric photoredox catalyst inspired by photosynthetic machinery Nature Communications, 2015, 6, 6541 |
| 1548309 | CIF | C156 H142 B2 F18 N8 O6 P4 Rh2 S6 Zn | P -1 | 15.6349; 18.4356; 21.753 107.517; 110.288; 96.416 | 5442.2 | Alejo M. Lifschitz; Ryan M. Young; Jose Mendez-Arroyo; Charlotte L. Stern; C. Michael McGuirk; Michael R. Wasielewski; Chad A. Mirkin An allosteric photoredox catalyst inspired by photosynthetic machinery Nature Communications, 2015, 6, 6541 |
| 1548351 | CIF | Fe4 Na4 O36 P12 | P 21 21 21 | 14.339; 14.3374; 14.3642 90; 90; 90 | 2953 | Xinghao Lin; Yanming Zhao; Youzhong Dong; Quan Kuang Synthesis and structural data of a Fe-base sodium metaphosphate compound, NaFe(PO3)3 Data in Brief, 2015, 4, 217-221 |
| 1548358 | CIF | C21 H28 Cl6 O3 | P 1 | 6.315; 9.3352; 11.1622 104.386; 95.464; 107.774 | 596.44 | Mino R. Caira; Susan A. Bourne; Halima Samsodien Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate Journal of Pharmaceutical Sciences, 2015, 104, 3418-3425 |
| 1548359 | CIF | C19 H26 O3 | P 1 21 1 | 6.254; 11.2919; 11.5524 90; 97.355; 90 | 809.11 | Mino R. Caira; Susan A. Bourne; Halima Samsodien Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate Journal of Pharmaceutical Sciences, 2015, 104, 3418-3425 |
| 1548360 | CIF | C19 H29 N2 O7.5 S2 | P 21 21 21 | 9.499; 10.5848; 43.643 90; 90; 90 | 4388.1 | Mino R. Caira; Susan A. Bourne; Halima Samsodien Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate Journal of Pharmaceutical Sciences, 2015, 104, 3418-3425 |
| 1548416 | CIF | C19 H30 O5 | C 1 2/c 1 | 32.5104; 7.542; 18.7992 90; 123.469; 90 | 3845.1 | Chaosheng Luo; Zhen Wang; Yong Huang Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic Nature Communications, 2015, 6, 10041 |
| 1548417 | CIF | C15 H20 I N O3 S | P 1 21/n 1 | 11.4472; 5.3308; 28.617 90; 95.192; 90 | 1739.12 | Chaosheng Luo; Zhen Wang; Yong Huang Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic Nature Communications, 2015, 6, 10041 |
| 1548418 | CIF | C16 H19 N O2 S | P 21 21 21 | 5.9278; 8.3994; 31.263 90; 90; 90 | 1556.58 | Chaosheng Luo; Zhen Wang; Yong Huang Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic Nature Communications, 2015, 6, 10041 |
| 1548420 | CIF | C26 H37 Br2 N O Si | P -1 | 8.5127; 9.9548; 16.5298 85.838; 75.41; 84.304 | 1347.26 | Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913 |
| 1548421 | CIF | C26 H39 N O Si | P 1 21/c 1 | 14.2427; 14.0437; 13.5442 90; 111.769; 90 | 2515.9 | Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913 |
| 1548422 | CIF | C27 H37 N O2 Si | P 1 21/n 1 | 16.8831; 7.8642; 19.9523 90; 100.544; 90 | 2604.38 | Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913 |
| 1548423 | CIF | C45 H62 N4 O9 Si2 | P -1 | 10.9419; 13.4756; 18.147 83.987; 80.786; 68.014 | 2446.21 | Xijian Li; Siyu Peng; Li Li; Yong Huang Synthesis of tetrasubstituted 1-silyloxy-3-aminobutadienes and chemistry beyond Diels-Alder reactions Nature Communications, 2015, 6, 6913 |
| 1548470 | CIF | C44 H70 F3 N5 O9 S Si2 | P 1 21/n 1 | 13.0627; 22.7178; 18.8564 90; 107.908; 90 | 5324.6 | Kosuke Namba; Kohei Takeuchi; Yukari Kaihara; Masataka Oda; Akira Nakayama; Atsushi Nakayama; Masahiro Yoshida; Keiji Tanino Total synthesis of palau'amine Nature Communications, 2015, 6, 8731 |
| 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 |
| 1548474 | CIF | C21 H25 N O3 | P 41 | 9.5905; 9.5905; 19.7424 90; 90; 90 | 1815.86 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548475 | CIF | C19 H25 N O6 | P 21 21 21 | 8.8437; 13.309; 16.8901 90; 90; 90 | 1988 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548476 | CIF | C18 H25 N O3 | P 21 21 21 | 10.6408; 17.7283; 18.1077 90; 90; 90 | 3415.9 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548477 | CIF | C18 H23 N O3 | P 21 21 21 | 9.3102; 9.6848; 18.5136 90; 90; 90 | 1669.32 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548478 | CIF | C22 H27 N O3 | C 1 2 1 | 30.107; 5.8007; 11.5447 90; 99.634; 90 | 1987.8 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548479 | CIF | C14 H23 N O3 | P 41 21 2 | 12.8285; 12.8285; 18.0935 90; 90; 90 | 2977.7 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548480 | CIF | C10 H16 N O3 | P 1 | 5.0728; 14.5938; 15.1058 83.648; 81.203; 83.714 | 1093.47 | Milan Bergeron-Brlek; Michael Meanwell; Robert Britton Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars Nature Communications, 2015, 6, 6903 |
| 1548496 | CIF | C25 H24 N2 O5 S | P 21 21 21 | 8.4096; 15.0102; 18.0794 90; 90; 90 | 2282.2 | Ming Yang; Jian Li; Ang Li Total synthesis of clostrubin Nature Communications, 2015, 6, 6445 |
| 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 |
| 1548527 | CIF | C19 H22 F3 N3 O7 | P 1 21 1 | 9.4094; 11.7301; 9.5007 90; 99.289; 90 | 1034.87 | Brendan T. Parr; Christos Economou; Seth B. Herzon A concise synthesis of (+)-batzelladine B from simple pyrrole-based starting materials Nature, 2015, 525, 507-510 |
| 1548561 | CIF | C23 H29 N O3 | I 4 | 25.728; 25.728; 6.5313 90; 90; 90 | 4323.3 | Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families Nature Communications, 2015, 6, 6096 |
| 1548562 | CIF | C23 H27 N O4 | P 1 21 1 | 7.3863; 6.6732; 19.53 90; 90.68; 90 | 962.6 | Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families Nature Communications, 2015, 6, 6096 |
| 1548563 | CIF | C34 H43 N O5 S Si | P 1 | 10.6277; 11.3209; 15.3086 70.82; 77.972; 66.025 | 1583.5 | Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families Nature Communications, 2015, 6, 6096 |
| 1548580 | CIF | C44 H38.72 N6 O10.36 S2 | P 1 21/c 1 | 8.506; 16.426; 29.288 90; 91.98; 90 | 4089.7 | W. Robert Scheidt; Beisong Cheng; Allen G. Oliver; John A. Goodwin Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups Journal of Porphyrins and Phthalocyanines, 2015, 19, 1256-1261 |
| 1548582 | CIF | C21 H21 As Au Cl | P 1 21 1 | 12.9884; 17.0042; 13.3251 90; 90.318; 90 | 2942.9 | Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study Plos One, 2015, 10, e0119620 |
| 1548583 | CIF | C21 H21 As Au Cl | P n m a | 11.6328; 14.0632; 11.9721 90; 90; 90 | 1958.6 | Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study Plos One, 2015, 10, e0119620 |
| 1548584 | CIF | C26 H24 As2 Au2 Cl2 | C 1 2/c 1 | 17.4293; 14.8826; 11.5267 90; 116.607; 90 | 2673.31 | Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study Plos One, 2015, 10, e0119620 |
| 1548585 | CIF | C31 H23 As Au Cl3 | P 1 21/c 1 | 9.4715; 18.0504; 16.0002 90; 96.461; 90 | 2718.09 | Omar bin Shawkataly; Chin-Ping Goh; Abu Tariq; Imthyaz Ahmad Khan; Hoong-Kun Fun; Mohd Mustaqim Rosli Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study Plos One, 2015, 10, e0119620 |
| 1548647 | CIF | C H12 B11 Li | P c a 21 | 9.6668; 9.4892; 9.7273 90; 90; 90 | 892.29 | Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions Energy & Environmental Science, 2015, 8, 3637-3645 |
| 1548648 | CIF | C H12 B11 Na | P c a 21 | 9.7821; 9.6254; 10.0928 90; 90; 90 | 950.3 | Wan Si Tang; Atsushi Unemoto; Wei Zhou; Vitalie Stavila; Motoaki Matsuo; Hui Wu; Shin-ichi Orimo; Terrence J. Udovic Unparalleled Lithium and Sodium Superionic Conduction in Solid Electrolytes with Large Monovalent Cage-like Anions Energy & Environmental Science, 2015, 8, 3637-3645 |
| 1548716 | CIF | C18 H18 O | I 1 2/a 1 | 18.2502; 5.8703; 25.807 90; 100.988; 90 | 2714.1 | Michael W. Giuliano; Chung-Yon Lin; David K. Romney; Scott J. Miller; Eric V. Anslyn A Synergistic Combinatorial and Chiroptical Study of Peptide Catalysts for Asymmetric Baeyer-Villiger Oxidation Advanced Synthesis & Catalysis, 2015, 357, 2301-2309 |
| 1549530 | CIF | C10 H4 Ba2 O9 | C 1 2/c 1 | 7.8089; 17.5619; 9.148 90; 114.512; 90 | 1141.48 | Köferstein, Roberto; Robl, Christian M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations Zeitschrift für anorganische und allgemeine Chemie, 2015, 641, 1150 |
| 1549531 | CIF | C10 H4 O9 Pb2 | C 1 2/c 1 | 7.567; 17.228; 8.902 90; 113.59; 90 | 1063.5 | Köferstein, Roberto; Robl, Christian M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations Zeitschrift für anorganische und allgemeine Chemie, 2015, 641, 1150 |
| 1549533 | CIF | C19 H30 Cu N4 O16 | P 1 21/n 1 | 9.5848; 14.6574; 18.2114 90; 97.655; 90 | 2535.7 | Köferstein, Roberto; Robl, Christian A Novel One-Dimensional Copper Mellitate Complex Featured by {Cu(H2O)2(urea)[C6(COO)4(COOH)2]}n2n-Polyanions Zeitschrift für anorganische und allgemeine Chemie, 2015, 641, 1886 |
| 1551319 | CIF | C30 H62 N8 O16 | P 41 3 2 | 20.1798; 20.1798; 20.1798 90; 90; 90 | 8217.7 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551320 | CIF | C72 H69 N11 | C 1 2/c 1 | 23.6949; 13.4437; 18.9583 90; 98.83; 90 | 5967.5 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551321 | CIF | C216 H237 N35 | R 3 2 :H | 20.792; 20.792; 45.156 90; 90; 120 | 16906 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551322 | CIF | C216 H237 N35 | R 3 2 :H | 20.804; 20.804; 45.126 90; 90; 120 | 16914 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551323 | CIF | C216 H237 N35 | R 3 2 :H | 20.4108; 20.4108; 44.6718 90; 90; 120 | 16117 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551324 | CIF | C216 H237 N35 | R 3 2 :H | 20.6365; 20.6365; 44.899 90; 90; 120 | 16559 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551325 | CIF | C218.02 H246.5 Cl1.5 N35 O1.5 | R 3 2 :H | 20.718; 20.718; 44.992 90; 90; 120 | 16725 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551326 | CIF | C216 H237 N35 | R 3 2 :H | 20.6071; 20.6071; 44.949 90; 90; 120 | 16530.4 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551327 | CIF | C226 H268 Cl6 N35 O8 | R 3 2 :H | 20.5397; 20.5397; 44.747 90; 90; 120 | 16348.7 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551328 | CIF | C80 H119 Cl2 N12 O9.5 | I 1 2 1 | 21.7305; 19.737; 22.9973 90; 105.506; 90 | 9504.4 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551329 | CIF | C83 H137 N12 O15 | I 1 2 1 | 21.644; 19.7822; 23.2696 90; 105.704; 90 | 9591.4 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551330 | CIF | C72 H84 N12 | C 1 2 1 | 33.883; 20.467; 25.712 90; 95.249; 90 | 17756 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551331 | CIF | C155.5 H234 Cl N24 O21.5 | C 1 2 1 | 34.692; 19.8867; 26.6702 90; 93.334; 90 | 18369 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551332 | CIF | C154 H208.5 Cl9 N24 O11.75 | C 1 2 1 | 34.796; 19.8984; 26.7636 90; 93.452; 90 | 18497 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551333 | CIF | C108 H252 N24 O45 | P 3 c 1 | 15.8532; 15.8532; 33.088 90; 90; 120 | 7201.7 | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper Trapping virtual pores by crystal retro-engineering Nature Chemistry, 2015, 7, 153-159 |
| 1551384 | CIF | C206 H209 N40 O40 | P 1 | 17.018; 19.782; 33.512 81.76; 88.25; 82.41 | 11067 | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose Nature Chemistry, 2015, 7, 334-341 |
| 1551385 | CIF | C206 H210 N40 O40 | P 1 21/c 1 | 24.443; 21.3714; 46.5745 90; 101.926; 90 | 23804.5 | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose Nature Chemistry, 2015, 7, 334-341 |
| 1551386 | CIF | C412 H420 N80 O82 | P -1 | 29.18; 31.72; 32.14 69.39; 73.89; 68.09 | 25465 | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose Nature Chemistry, 2015, 7, 334-341 |
| 1551387 | CIF | C205 H206 N40 O45 | P -1 | 20.683; 24.6762; 25.9639 117.362; 93.86; 103.065 | 11237.4 | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose Nature Chemistry, 2015, 7, 334-341 |
| 1551388 | CIF | C188 H186 Cl0 F N36 O36 | P -1 | 17.5372; 19.8099; 33.578 105.041; 90.103; 108.356 | 10648 | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose Nature Chemistry, 2015, 7, 334-341 |
| 1551389 | CIF | C191 H189 Cl6 F2 N35 O36 | P -1 | 17.554; 19.747; 33.398 74.98; 89.62; 71.99 | 10600 | Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose Nature Chemistry, 2015, 7, 334-341 |
| 1551415 | CIF | C194 H146 Br8 Cl17 Fe6.5 N40 O21 | P -1 | 16.0089; 25.8622; 29.879 89.88; 89.852; 72.396 | 11791.3 | Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke Two-stage directed self-assembly of a cyclic [3]catenane Nature Chemistry, 2015, 7, 354-358 |
| 1551416 | CIF | C196 H165 Cl12 Fe6 N35 O24 | P 1 21/n 1 | 33.0443; 19.184; 41.84 90; 111.339; 90 | 24705 | Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke Two-stage directed self-assembly of a cyclic [3]catenane Nature Chemistry, 2015, 7, 354-358 |
| 1551417 | CIF | C192 H150 F24 Fe6 N36 O12 P4 S6 | C 1 c 1 | 42.114; 54.516; 14.0878 90; 107.763; 90 | 30802 | Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke Two-stage directed self-assembly of a cyclic [3]catenane Nature Chemistry, 2015, 7, 354-358 |
| 1551418 | CIF | C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 | C 1 2/c 1 | 59.465; 16.8956; 62.436 90; 116.189; 90 | 56290 | Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke Two-stage directed self-assembly of a cyclic [3]catenane Nature Chemistry, 2015, 7, 354-358 |
| 1551453 | CIF | C24 H16 Al2 O10 | I 41 2 2 | 14.8228; 14.8228; 11.7919 90; 90; 90 | 2590.86 | Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework Nature Chemistry, 2015, 7, 121-129 |
| 1551454 | CIF | C21 H18 Al2 O10 | I 41 2 2 | 14.80469; 14.80469; 11.801726 90; 90; 90 | 2586.69 | Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework Nature Chemistry, 2015, 7, 121-129 |
| 1551455 | CIF | C21.4 H8 Al2 D5.4 O10 | I 41 2 2 | 14.785355; 14.785355; 11.77396 90; 90; 90 | 2573.87 | Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework Nature Chemistry, 2015, 7, 121-129 |
| 1551456 | CIF | C19.6 H8 Al2 D7.2 O10 | I 41 2 2 | 14.794232; 14.794232; 11.77851 90; 90; 90 | 2577.95 | Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework Nature Chemistry, 2015, 7, 121-129 |
| 1551457 | CIF | C18.6 H8 Al2 D6.8 O10 | I 41 2 2 | 14.79549; 14.79549; 11.77847 90; 90; 90 | 2578.38 | Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework Nature Chemistry, 2015, 7, 121-129 |
| 1551478 | CIF | C266 H240 Br12 Cu6 N18 O63 S7 | R -3 :H | 38.1839; 38.1839; 57.9645 90; 90; 120 | 73190.3 | Flora L. Thorp-Greenwood; Alexander N. Kulak; Michaele J. Hardie An infinite chainmail of M6L6 metallacycles featuring multiple Borromean links Nature Chemistry, 2015, 7, 526-531 |
| 1551538 | CIF | C45 H34 Cl F3 N2 | P 21 21 21 | 11.726; 17.511; 17.758 90; 90; 90 | 3646.3 | Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis Nature Chemistry, 2015, 7, 227-233 |
| 1551539 | CIF | C56 H57 Cl3 F3 N O2 Si | P -1 | 11.095; 15.395; 16.048 86.404; 88.39; 71.517 | 2594.5 | Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis Nature Chemistry, 2015, 7, 227-233 |
| 1551540 | CIF | C40 H33 F3 O | P 1 21/c 1 | 7.973; 24.778; 15.926 90; 101.836; 90 | 3079.4 | Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis Nature Chemistry, 2015, 7, 227-233 |
| 1551541 | CIF | C50 H41 F3 O | P 21 21 21 | 8.6566; 19.9388; 22.106 90; 90; 90 | 3815.5 | Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis Nature Chemistry, 2015, 7, 227-233 |
| 1551542 | CIF | C40 H33 F3 N2 O | P 1 21/a 1 | 16.718; 12.216; 16.184 90; 99; 90 | 3264.5 | Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis Nature Chemistry, 2015, 7, 227-233 |
| 1551619 | CIF | C17 H16 N4 O7 | C 1 2/c 1 | 18.388; 10.355; 19.159 90; 113.596; 90 | 3343 | MIUKURIYA, Masahiro; NAKA, Yuko; YOSHIOKA, Daisuke Synthesis and Crystal Structure of 1,3-Bis(5-nitrosalicylideneamino)-2-propanol X-ray Structure Analysis Online, 2015, 31, 55 |
| 1551620 | CIF | C69 H84 B3 N3 Ni O7 | P -1 | 11.8846; 14.5812; 20.235 73.031; 84.561; 66.297 | 3069.9 | YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi Structure of Bis(2,2′-iminodiethanol-<i>N</i>,<i>O</i>,<i>O</i>′)-Nickel(II) Hydrogen-Bonded to an Organoboron Coordination Complex X-ray Structure Analysis Online, 2015, 31, 19 |
| 1551621 | CIF | C53 H34 Cl2 F16 N8 Pd | P -1 | 10.1; 14.544; 17.861 83.619; 85.295; 73.839 | 2500.8 | MORIWAKI, Kazuhiro; AKASHI, Haruo Synthesis and Crystal Structure of 5,10,15,20-Tetrakis(2,3,5,6-tetrafluoro-4-(dimethylamino)phenyl)porphyrinato)palladium(II)-dichloromethane (1/1) X-ray Structure Analysis Online, 2015, 31, 15 |
| 1551622 | CIF | C30 H52 N2 O10 V2 | P -1 | 8.5059; 9.8815; 11.3339 82.916; 83.819; 65.595 | 859.2 | MIKURIYA, Masahiro; FUKUTANI, Masami; YOSHIOKA, Daisuke Synthesis and Crystal Structures of Dinuclear Dioxidovanadium(V) and Tetranuclear Oxidovanadium(IV) Complexes with 2,6-Bis(hydroxymethyl)-4-methylphenol X-ray Structure Analysis Online, 2015, 31, 33 |
| 1551623 | CIF | C32 H58 N2 O20 S2 V4 | P -1 | 10.731; 11.373; 11.558 104.28; 112.76; 108.23 | 1121 | MIKURIYA, Masahiro; FUKUTANI, Masami; YOSHIOKA, Daisuke Synthesis and Crystal Structures of Dinuclear Dioxidovanadium(V) and Tetranuclear Oxidovanadium(IV) Complexes with 2,6-Bis(hydroxymethyl)-4-methylphenol X-ray Structure Analysis Online, 2015, 31, 33 |
| 1551624 | CIF | C8 H11 N2 O3 Re S | P 1 21/n 1 | 10.054; 8.466; 12.924 90; 108.552; 90 | 1042.9 | MIKURIYA, Masahiro; WATANABE, Tetsuji; SUYAMA, Aiko; YOSHIOKA, Daisuke Rhenium Complex with 2-[(2-Pyridylmethyl)amino]ethanethiol X-ray Structure Analysis Online, 2015, 31, 3 |
| 1551625 | CIF | C75 H69 N9 O6 S3 | C 1 c 1 | 24.986; 23.548; 13.762 90; 101.358; 90 | 7939 | ISHIMARU, Yoshihiro; SHIMOYAMA, Naoyuki; SHIBA, Haruaki; FUJIHARA, Takashi <i>p</i>-Nitrophenyl[36]trithianonaphyrin(1.0.0.1.0.0.1.0.0) with a Weak Antiaromatic Character X-ray Structure Analysis Online, 2015, 31, 21 |
| 1551626 | CIF | C60 H70 B2 N6 Ni O6 | P -1 | 10.68; 13.271; 19.96 86.043; 84.483; 87.335 | 2806.9 | SAKIYAMA, Hiroshi; MITSUHASHI, Ryoji; MIKURIYA, Masahiro <i>Pseudo</i>-<i>S</i><sub>6</sub> Complex Cations of a Hexakis-<i>N</i>-methylformamide Nickel(II) Complex X-ray Structure Analysis Online, 2015, 31, 45 |
| 1551627 | CIF | C41 H49 F6 N4 O6 Rh2 | P -1 | 11.4725; 12.4679; 16.113 77.391; 75.265; 85.548 | 2174.6 | HANDA, Makoto; TAKAHASHI, Kazuki; INOUE, Asami; IKEUE, Takahisa; YOSHIOKA, Daisuke; MIKURIYA, Masahiro Crystal Structure of a Lantern-Type Dirhodium(II) Complex with a <i>cis</i>-(2:2) Arrangement of Two Formamidinato and Two Trifluoroacetato Bridges X-ray Structure Analysis Online, 2015, 31, 31 |
| 1551628 | CIF | C10 H13 N3 O2 S | P 1 21/c 1 | 8.496; 8.504; 17.2236 90; 111.513; 90 | 1157.71 | de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Feitosa, Bárbara Regina Santos Crystal Structure of 4-Hydroxy-3-methoxybenzaldehyde-4-methylthiosemicarbazone X-ray Structure Analysis Online, 2015, 31, 5 |
| 1551629 | CIF | C16 H17 N O4 S2 | P 1 2/c 1 | 14.1757; 8.23382; 28.6476 90; 102.007; 90 | 3270.59 | IGARASHI, Ryota; NAGASE, Hiromasa; FURUISHI, Takayuki; TOMONO, Kazuo; ENDO, Tomohiro; UEDA, Haruhisa Crystal Structure of an Epalrestat Methanol Solvate X-ray Structure Analysis Online, 2015, 31, 1 |
| 1551630 | CIF | C20 H23 N O2 | P -1 | 6.425; 8.495; 16.665 93.09; 98.399; 110.373 | 838.1 | KUBO, Kanji; MATSUMOTO, Taisuke; IDETA, Keiko; UJIIE, Seiji Mesomorphic Property and Crystal Structure of 4-Carboxybenzylidene-4′-hexylaniline X-ray Structure Analysis Online, 2015, 31, 39 |
| 1551631 | CIF | C12 H31 Cl2 N3 O S3 | P 1 21/n 1 | 9.9553; 13.7164; 14.724 90; 102.528; 90 | 1962.7 | MIKURIYA, Masahiro; MIYOSHI, Kazufumi; KURANO, Shuhei; TAGUCHI, Jun; KOTERA, Takanori; YOSHIOKA, Daisuke Synthesis and Crystal Structure of 1,4,7-Tris(2-mercaptoethyl)-1,4,7-triazacyclononane X-ray Structure Analysis Online, 2015, 31, 59 |
| 1551632 | CIF | C25 H28 Cu N6 O6 | P b c n | 12.666; 12.687; 15.113 90; 90; 90 | 2428.6 | SAGA, Makoto; SAKANE, Genta; YAMAZAKI, Shigeo; SAITO, Keiitsu Crystal Structure of a Copper(II) Complex with <i>N</i>,<i>N</i>′-Bis(2-methylquinolyl)-dimethyl-1,3-propanediamine X-ray Structure Analysis Online, 2015, 31, 41 |
| 1551633 | CIF | C14 H14 O6 | P 1 21/c 1 | 5.6929; 13.3409; 9.5865 90; 106.414; 90 | 698.41 | UEJI, Kan; TAMAKI, Yoshinori; MIYAMURA, Kazuo Crystal Structure of 4,4′-Bi(3-(1-methylethoxy)-3-cyclobutene-1,2-dione) X-ray Structure Analysis Online, 2015, 31, 57 |
| 1551634 | CIF | C36 H54 Co4 N10 O12 | P 42/n :2 | 11.608; 11.608; 16.717 90; 90; 90 | 2252.5 | LIM, Jongwan; KIM, Gibeom; DO, Kyungseo; LEE, Seonghyun; RYU, Sanghoon; YOSHIOKA, Daisuke; MIKURIYA, Masahiro Tetranuclear Nickel(II) and Cobalt(II) Complexes with 3,5-Dimethyl-1-pyrazolylmethanolato and Acetato Bridges Having a Cubane Core X-ray Structure Analysis Online, 2015, 31, 49 |
| 1551635 | CIF | C36 H54 N10 Ni4 O12 | P 42/n :2 | 11.5812; 11.5812; 16.58 90; 90; 90 | 2223.8 | LIM, Jongwan; KIM, Gibeom; DO, Kyungseo; LEE, Seonghyun; RYU, Sanghoon; YOSHIOKA, Daisuke; MIKURIYA, Masahiro Tetranuclear Nickel(II) and Cobalt(II) Complexes with 3,5-Dimethyl-1-pyrazolylmethanolato and Acetato Bridges Having a Cubane Core X-ray Structure Analysis Online, 2015, 31, 49 |
| 1551636 | CIF | C32 H48 Cu2 N2 O8 | C 1 2/c 1 | 21.267; 18.25; 10.1715 90; 99.716; 90 | 3891.2 | MIKURIYA, Masahiro; YANO, Mari; TAKAHASHI, Naoya; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto Synthesis and Crystal Structure of a Chain Complex of Copper(II) Pivalate and 1,2-Bis(4-pyridyl)ethane in Relation to Adsorption Property for N<sub>2</sub> X-ray Structure Analysis Online, 2015, 31, 47 |
| 1551637 | CIF | C26 H28 N O3 P | P 1 21/c 1 | 13.273; 9.7015; 18.444 90; 109.5; 90 | 2238.8 | MARANDI, Pari; RAISSI SHABARI, Akbar; KHOSRAVI, Morteza; POURAYOUBI, Mehrdad Synthesis and Crystal Structure of a New Hydrated Phosphinate Salt, [(C<sub>6</sub>H<sub>5</sub>CH<sub>2</sub>)<sub>2</sub>NH<sub>2</sub>][(C<sub>6</sub>H<sub>5</sub>)<sub>2</sub>P(O)(O)]·H<sub>2</sub>O X-ray Structure Analysis Online, 2015, 31, 37 |
| 1551638 | CIF | C34 H50 N2 O4 | C 1 2/c 1 | 31.61; 7.686; 12.807 90; 97.643; 90 | 3084 | KUBO, Kanji; YAMAMOTO, Emi; MATSUMOTO, Taisuke; MORI, Akira Crystal Structure of <i>N</i>,<i>N</i>′-Bis(5-octyloxytropon-2-yl)piperazine X-ray Structure Analysis Online, 2015, 31, 43 |
| 1551639 | CIF | C60 H70 B2 Co N6 O6 | P -1 | 10.9801; 22.581; 23.805 72.198; 87.088; 88.497 | 5612 | YAMAGUCHI, Ryo; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi Structural Feature of an Hexakis-<i>N</i>-methylformamide Cobalt(II) Complex: <i>Pseudo</i>-<i>S</i><sub>6</sub> and <i>Pseudo</i>-<i>C</i><sub>2</sub> Complex Cations X-ray Structure Analysis Online, 2015, 31, 7 |
| 1551640 | CIF | C22 H32 O3 | P 21 21 21 | 8.9849; 12.53; 17.441 90; 90; 90 | 1963.5 | Ortiz, Aylin Viviana Silva; Cabeza, Marisa; Bratoeff, Eugene; Soriano-García, Manuel Crystal Structure and Synthesis of Two Steroidal Derivatives: 3<i>β</i>-Propanoyloxyandrost-5-en-17-one and 3<i>β</i>-Pentanoyloxyandrost-5-en-17-one X-ray Structure Analysis Online, 2015, 31, 9 |
| 1551641 | CIF | C70 H88 B2 Cu N4 O4 | P 1 | 12.2123; 12.5684; 12.9841 100.526; 107.424; 116.156 | 1587.4 | MATSUI, Chihiro; OKAWARA, Toru; NAGAMURA, Toshihiko; TAKEHARA, Kenji Crystal Structure of Bis(acetone-<i>κ</i><i>O</i>)-1,4,8,11-tetraazacyclotetradecane Copper(II) Ditetraphenylborate Acetone Disolvate X-ray Structure Analysis Online, 2015, 31, 53 |
| 1551642 | CIF | C7 H11 N O3 | P 21 21 21 | 6.4713; 6.7196; 17.9369 90; 90; 90 | 779.98 | INADA, Aya; KANAZAWA, Hitoshi; UEKUSA, Hidehiro Crystal Structure of <font size=-1>L</font>-Isoleucine <i>N</i>-Carboxy Anhydride X-ray Structure Analysis Online, 2015, 31, 17 |
| 1551643 | CIF | C30 H40 Cl4 Co2 N10 | P 1 21/n 1 | 12.4671; 10.1719; 29.292 90; 101.26; 90 | 3643.1 | LIM, Jongwan; SON, Young; GU, Gimoon; RYU, Sanghoon; YOSHIOKA, Daisuke; MIKURIYA, Masahiro Dinuclear Cobalt(II) Complex with <i>N</i>,<i>N</i>,<i>N</i>′,<i>N</i>′-Tetrakis(3,5-dimethyl-1-pyrazolyl)methyl-1,4-phenylenediamine Having a Tetrahedral Coordination Geometry X-ray Structure Analysis Online, 2015, 31, 25 |
| 1551644 | CIF | C10 H13 Cl F N O2 | P b c a | 24.679; 9.873; 9.253 90; 90; 90 | 2254.5 | Guillon, Jean; Pinaud, Noël; Marchivie, Mathieu; Ronga, Luisa; Benazzouz, Abdelhamid; Moreau, Stéphane Crystal Structure of a Fluoro Analogue of 3,4-(Methylenedioxy)amphetamine X-ray Structure Analysis Online, 2015, 31, 23 |
| 1551645 | CIF | C27 H19 N O2 | P 1 21/n 1 | 9.837; 13.221; 16.325 90; 107.914; 90 | 2020.2 | AKITA, Motoko; KIMURA, Yuko; KOBAYASHI, Keiji Crystal Structure of 2-(<i>p</i>-Anilinophenyl)-2-phenylindan-1,3-dione and Its Unexpected Formation X-ray Structure Analysis Online, 2015, 31, 13 |
| 1551646 | CIF | C22 H20 N2 O2 | P 1 21/c 1 | 8.7451; 15.1964; 6.9425 90; 113.561; 90 | 845.7 | AKITA, Motoko; KASONO, Masaki; KOBAYASHI, Keiji Crystal Structure of 3,3′-Ethanediylidenebis(1-ethylindoline-2-one): An Unexpected Byproduct in <i>N</i>-Ethylation of Isatin in Tetrahydrofurane X-ray Structure Analysis Online, 2015, 31, 11 |
| 1551647 | CIF | C17 H17 Br O4 S | P 1 21/c 1 | 9.4884; 9.5235; 18.154 90; 95.203; 90 | 1633.69 | KUBO, Kanji; MATSUMOTO, Taisuke Crystal Structure of 7-Bromo-4-isopropyl-2-[[(4-methylphenyl)sulfonyl]oxy]-tropone X-ray Structure Analysis Online, 2015, 31, 29 |
| 1551844 | CIF | C49 H36 N8 | I 41/a :2 | 23.6365; 23.6365; 7.1651 90; 90; 90 | 4003 | Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers Nature Chemistry, 2015, 7, 634-640 |
| 1551845 | CIF | C53 H44 N8 | I 41/a :2 | 24.2515; 24.2515; 7.7078 90; 90; 90 | 4533.2 | Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers Nature Chemistry, 2015, 7, 634-640 |
| 1551846 | CIF | C53 H44 N8 | I 41/a :2 | 24.072; 24.072; 7.4555 90; 90; 90 | 4320.2 | Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers Nature Chemistry, 2015, 7, 634-640 |
| 1551847 | CIF | C16.25 H17 N2 | I -4 | 20.205; 20.205; 7.278 90; 90; 90 | 2971.2 | Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers Nature Chemistry, 2015, 7, 634-640 |
| 1551923 | CIF | C108 H72 Cl6 N18 O27 | P 1 21/c 1 | 19.4062; 30.4471; 19.8996 90; 101.576; 90 | 11518.8 | Hao Li; Huacheng Zhang; Aaron D. Lammer; Ming Wang; Xiaopeng Li; Vincent M. Lynch; Jonathan L. Sessler Quantitative self-assembly of a purely organic three-dimensional catenane in water Nature Chemistry, 2015, 7, 1003-1008 |
| 1551959 | CIF | C26 H23 N O4 | P 21 21 21 | 7.0956; 11.5517; 24.171 90; 90; 90 | 1981.21 | Tatiana Caneque; Filipe Gomes; Trang Thi Mai; Giovanni Maestri; Max Malacria; Raphael Rodriguez Synthesis of marmycin A and investigation into its cellular activity Nature Chemistry, 2015, 7, 744-751 |
| 1551960 | CIF | C34.48 H34.96 Cl0.96 O14 | C 2 2 21 | 9.8002; 11.4061; 30.952 90; 90; 90 | 3459.9 | Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer Nature Chemistry, 2015, 7, 234-240 |
| 1551961 | CIF | C40 H42 O16 | P 1 21 1 | 11.3036; 15.895; 11.5465 90; 111.075; 90 | 1935.8 | Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer Nature Chemistry, 2015, 7, 234-240 |
| 1551962 | CIF | C33 H77 As N4 Si3 U | P m c n | 20.8958; 12.54925; 16.04531 90; 90; 90 | 4207.51 | Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions Nature Chemistry, 2015, 7, 582-590 |
| 1551963 | CIF | C33 H77 As N4 Si3 U | P n a 21 | 16.04632; 12.55844; 20.9096 90; 90; 90 | 4213.63 | Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions Nature Chemistry, 2015, 7, 582-590 |
| 1551964 | CIF | C61 H116 As K N4 O10 Si3 U | P 1 21/c 1 | 16.2073; 19.3582; 24.0982 90; 104.211; 90 | 7329.3 | Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions Nature Chemistry, 2015, 7, 582-590 |
| 1551965 | CIF | C40.4 H82.5 As K2 N4 Si3 U | P 1 21/n 1 | 17.84985; 34.2192; 32.8697 90; 97.2734; 90 | 19915.5 | Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions Nature Chemistry, 2015, 7, 582-590 |
| 1551966 | CIF | C52.5 H115.5 As K N6 O6 Si3 U | P -1 | 15.3188; 18.8965; 24.8556 88.3008; 89.3347; 68.8052 | 6705.3 | Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions Nature Chemistry, 2015, 7, 582-590 |
| 1551967 | CIF | C101 H198 As3 K N8 O10 Si6 U2 | P 1 2/n 1 | 13.1907; 20.1898; 22.7981 90; 105.065; 90 | 5862.9 | Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions Nature Chemistry, 2015, 7, 582-590 |
| 1551968 | CIF | C6 H6 F6 | P 1 21 1 | 5.556; 5.842; 10.511 90; 93.54; 90 | 340.5 | Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane Nature Chemistry, 2015, 7, 483-488 |
| 1551969 | CIF | C6 H8 O4 | P c a 21 | 11.166; 12.913; 8.653 90; 90; 90 | 1247.6 | Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane Nature Chemistry, 2015, 7, 483-488 |
| 1551970 | CIF | C6 H8 F4 O2 | P 21 21 2 | 11.4368; 11.7139; 10.7701 90; 90; 90 | 1442.9 | Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane Nature Chemistry, 2015, 7, 483-488 |
| 1551971 | CIF | C6 H7 F5 O | P 1 21 1 | 5.7119; 5.5655; 11.244 90; 93.724; 90 | 356.69 | Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane Nature Chemistry, 2015, 7, 483-488 |
| 1551972 | CIF | C7 H6 F8 O3 S | P 1 21 1 | 5.6059; 7.4253; 13.076 90; 97.192; 90 | 540 | Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane Nature Chemistry, 2015, 7, 483-488 |
| 1552503 | CIF | Cr2 Mg O4 | C m c m | 2.85107; 9.4893; 9.67853 90; 90; 90 | 261.849 | Ishii, T.; Kojitani, H.; Fujino, K.; Yusa, H.; Mori, D.; Inaguma, Y.; Matsushita, Y.; Yamamura, K.; Akaogi, M. High-pressure high-temperature transitions in MgCr2O4 and crystal structures of new Mg2Cr2O5 and post-spinel MgCr2O4 phases with implications for ultrahigh-pressure chromitites in ophiolites American Mineralogist, 2015, 100, 59-65 |
| 1552953 | CIF | C61 H69.4 N4 O12.7 P4 | P -1 | 6.5913; 13.2499; 17.1269 97.941; 94.83; 96.958 | 1462.74 | Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene. Analytical chemistry, 2015, 87, 4515-4522 |
| 1552954 | CIF | C48 H48 N6 O12 P4 | P -1 | 13.1137; 13.9435; 17.8162 70.854; 82.606; 77.84 | 3002.2 | Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene. Analytical chemistry, 2015, 87, 4515-4522 |
| 1552955 | CIF | C44 H28 N4 O20 P4 S2 | P 1 21/m 1 | 8.381; 19.609; 17.205 90; 101.644; 90 | 2769.3 | Venkatramaiah, N.; Pereira, Carla F.; Mendes, Ricardo F.; Paz, Filipe A Almeida; Tomé, João P C Phosphonate appended porphyrins as versatile chemosensors for selective detection of trinitrotoluene. Analytical chemistry, 2015, 87, 4515-4522 |
| 1553040 | CIF | C27 H31 N O6 S | P 1 21 1 | 18.2388; 14.6418; 20.7375 90; 90.251; 90 | 5537.9 | Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes Organic Chemistry Frontiers, 2015, 2, 221 |
| 1553041 | CIF | C38 H42 Au Cl N O2 P | P 1 21 1 | 8.893; 20.6873; 9.7453 90; 105.318; 90 | 1729.17 | Liu, Feng; Wang, Yidong; Ye, Weiming; Zhang, Junliang Gold(i)-catalyzed asymmetric [3 + 2]-cycloadditions of γ-1-ethoxyethoxy-propiolates and aldehydes Organic Chemistry Frontiers, 2015, 2, 221 |
| 1553042 | CIF | C92 H98 N8 | P n n 2 | 15.865; 16.43; 14.961 90; 90; 90 | 3899.8 | Ie, Machiko; Setsune, Jun-ichiro; Eda, Kazuo; Tsuda, Akihiko Chiroptical sensing of oligonucleotides with a cyclic octapyrrole Organic Chemistry Frontiers, 2015, 2, 29 |
| 1553043 | CIF | C20 H20 N2 O2 | P 21 21 21 | 10.255; 10.8108; 15.4763 90; 90; 90 | 1715.8 | Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C–H bonds using a removable bidentate auxiliary Organic Chemistry Frontiers, 2015, 2, 119 |
| 1553044 | CIF | C17 H17 F3 N2 O2 | P 1 21/c 1 | 10.5428; 16.2625; 10.8624 90; 118.846; 90 | 1631.3 | Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C–H bonds using a removable bidentate auxiliary Organic Chemistry Frontiers, 2015, 2, 119 |
| 1553045 | CIF | C16 H19 N3 O2 | P -1 | 8.0742; 12.4409; 17.6473 71.94; 79.009; 72.177 | 1595.4 | Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C–H bonds using a removable bidentate auxiliary Organic Chemistry Frontiers, 2015, 2, 119 |
| 1553046 | CIF | C44 H33 F10 Ir N11 P | P -1 | 9.5524; 13.2533; 18.9296 101.946; 101.154; 103.248 | 2208 | Cai, Rong; Yan, Wuming; Bologna, Matthew G.; de Silva, Kaushalya; Ma, Zhao; Finklea, Harry O.; Petersen, Jeffrey L.; Li, Minyong; Shi, Xiaodong Synthesis and characterization of N-2-aryl-1,2,3-triazole based iridium complexes as photocatalysts with tunable photoredox potential Organic Chemistry Frontiers, 2015, 2, 141 |
| 1553047 | CIF | C34 H23 F2 Ir N8 O | P -1 | 11.0054; 14.2851; 21.789 71.698; 89.997; 67.306 | 2971.6 | Cai, Rong; Yan, Wuming; Bologna, Matthew G.; de Silva, Kaushalya; Ma, Zhao; Finklea, Harry O.; Petersen, Jeffrey L.; Li, Minyong; Shi, Xiaodong Synthesis and characterization of N-2-aryl-1,2,3-triazole based iridium complexes as photocatalysts with tunable photoredox potential Organic Chemistry Frontiers, 2015, 2, 141 |
| 1553048 | CIF | C27 H33 N O3 S Si | P 1 21/c 1 | 10.8466; 23.0405; 10.6995 90; 102.658; 90 | 2608.9 | Shen, Kun; Han, Xiuling; Xia, Guoqin; Lu, Xiyan Cationic Pd(ii)-catalyzed cyclization of N-tosyl-aniline tethered alkynyl ketones initiated by hydropalladation of alkynes: a facile way to 1,2-dihydro or 1,2,3,4-tetrahydroquinoline derivatives Organic Chemistry Frontiers, 2015, 2, 145 |
| 1553049 | CIF | C26 H28 Cl N O3 S Si | C 1 2/c 1 | 32.673; 12.2122; 12.9554 90; 92.633; 90 | 5163.9 | Shen, Kun; Han, Xiuling; Xia, Guoqin; Lu, Xiyan Cationic Pd(ii)-catalyzed cyclization of N-tosyl-aniline tethered alkynyl ketones initiated by hydropalladation of alkynes: a facile way to 1,2-dihydro or 1,2,3,4-tetrahydroquinoline derivatives Organic Chemistry Frontiers, 2015, 2, 145 |
| 1553050 | CIF | C32 H53 B11 N2 | P b c a | 17.5053; 20.281; 21.1684 90; 90; 90 | 7515.3 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553051 | CIF | C32 H55 B11 N2 | P b c a | 17.474; 20.161; 21.123 90; 90; 90 | 7441.5 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553052 | CIF | C26 H43 B11 N2 | P 21 21 21 | 11.591; 15.516; 16.796 90; 90; 90 | 3020.7 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553053 | CIF | C41 H63 B11 N2 O | P 21 21 21 | 10.343; 18.963; 22.347 90; 90; 90 | 4383 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553054 | CIF | C33 H55 B11 N2 | P b c a | 17.5189; 20.3686; 21.3348 90; 90; 90 | 7613 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553055 | CIF | C27 H43 B11 N2 | P 1 21/n 1 | 10.2998; 16.7445; 19.7479 90; 101.979; 90 | 3331.7 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553056 | CIF | C39 H59 B11 N2 | P 21 21 21 | 10.4375; 19.3175; 22.8874 90; 90; 90 | 4614.7 | Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55 |
| 1553057 | CIF | C20 H23 N3 O2 S | P 1 21/n 1 | 9.2469; 12.1137; 17.1803 90; 99.893; 90 | 1895.8 | Zhu, Tong-Hao; Wei, Tian-Qi; Wang, Shun-Yi; Ji, Shun-Jun NIS/CHP-mediated reaction of isocyanides with hydrazones: access to aminopyrazoles Organic Chemistry Frontiers, 2015, 2, 259 |
| 1553058 | CIF | C25 H25 Br N2 O7 | P 21 21 21 | 10.943; 12.564; 18.454 90; 90; 90 | 2537.2 | Sun, Qiang-Sheng; Chen, Xiao-Yang; Zhu, Hua; Lin, Hua; Sun, Xing-Wen; Lin, Guo-Qiang Asymmetric synthesis of poly-substituted spirocyclohexane oxindole via a squaramide catalyzed cascade Michael–Michael–aldol sequence Organic Chemistry Frontiers, 2015, 2, 110 |
| 1553059 | CIF | C17 H18 Br N O5 | P 21 21 21 | 6.6023; 7.8736; 32.754 90; 90; 90 | 1702.7 | Li, Ying-Zi; Wang, Jie; Sun, Wang-Bin; Shan, Yi-Fan; Sun, Bing-Feng; Lin, Guo-Qiang; Zou, Jian-Ping Enantioselective synthesis of bicyclo[2.2.2]octane-1-carboxylates under metal free conditions Organic Chemistry Frontiers, 2015, 2, 274 |
| 1553060 | CIF | C12 H17 N O4 S | P 21 21 21 | 8.7741; 9.7409; 14.5365 90; 90; 90 | 1242.4 | Riaño, Iker; Uria, Uxue; Carrillo, Luisa; Reyes, Efraim; Vicario, Jose L. 4-Alkenyl-5H-1,2,3-oxathiazole 2,2-dioxides in catalytic and enantioselective [4 + 2] cycloaddition through iminium activation. Straightforward access to the trans-decaline framework and to densely functionalized cyclohexanes Organic Chemistry Frontiers, 2015, 2, 206 |
| 1553061 | CIF | C8 H10 O3 | P -1 | 3.9045; 9.1939; 22.5383 88.422; 88.131; 78.161 | 791.26 | Wang, Qiang; Xu, Qin; Shi, Min Co-catalysis between DABCO and a Brønsted acid in the catalytic [4 + 2] annulation of isatin with but-3-yn-2-one and mechanistic investigations Organic Chemistry Frontiers, 2015, 2, 211 |
| 1553062 | CIF | C21 H19 N O3 | P -1 | 8.1086; 8.8324; 13.26 108.838; 97.636; 94.663 | 883 | Wang, Qiang; Xu, Qin; Shi, Min Co-catalysis between DABCO and a Brønsted acid in the catalytic [4 + 2] annulation of isatin with but-3-yn-2-one and mechanistic investigations Organic Chemistry Frontiers, 2015, 2, 211 |
| 1553063 | CIF | C77 H89 Br4 Cl3 F8 I4 N4 O8 | P 4/n c c :2 | 18.4165; 18.4165; 27.9044 90; 90; 90 | 9464.3 | Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K. N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands Organic Chemistry Frontiers, 2015, 2, 340 |
| 1553064 | CIF | C72 H114 Br4 Cl2 N4 O9 | P b c a | 23.3371; 23.5232; 27.0473 90; 90; 90 | 14848 | Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K. N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands Organic Chemistry Frontiers, 2015, 2, 340 |
| 1553065 | CIF | C7 H7 Cl N O2 | C 1 2/c 1 | 24.849; 4.7231; 14.8643 90; 103.467; 90 | 1696.6 | Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S. New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction Organic Chemistry Frontiers, 2015, 2, 497 |
| 1553066 | CIF | C13 H17 N O3 | P -1 | 9.9549; 11.3328; 11.8818 106.461; 101.618; 100.174 | 1219.6 | Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S. New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction Organic Chemistry Frontiers, 2015, 2, 497 |
| 1553067 | CIF | C13 H19 N O5 | P -1 | 5.3906; 15.9299; 17.3564 112.457; 97.7331; 99.3952 | 1326.85 | Barnes, Korry L.; Chen, Kelly; Catalano, Vincent J.; Jeffrey, Christopher S. New building blocks for iminosugars: a concise synthesis of polyhydroxylated N-alkoxypiperidines through an intramolecular azepine ring contraction Organic Chemistry Frontiers, 2015, 2, 497 |
| 1553068 | CIF | C15 H11 N O2 | P -1 | 7.1432; 8.4932; 10.1874 99.388; 97.577; 106.771 | 573.27 | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers, 2015, 2, 312 |
| 1553069 | CIF | C22 H20 N2 O4 | P 1 21/n 1 | 7.0179; 4.6365; 29.074 90; 92.757; 90 | 944.93 | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers, 2015, 2, 312 |
| 1553070 | CIF | C21 H21 N3 O | P 1 c 1 | 18.2723; 5.5654; 8.7266 90; 103.633; 90 | 862.43 | Chahdoura, Faouzi; Mallet-Ladeira, Sonia; Gómez, Montserrat Palladium nanoparticles in glycerol: a clear-cut catalyst for one-pot multi-step processes applied in the synthesis of heterocyclic compounds Organic Chemistry Frontiers, 2015, 2, 312 |
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