Crystallography Open Database
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Searching journal of publication like 'Chemical science'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1572107 | CIF | C56 H58 O4 Rh2 | P 1 21/c 1 | 10.36315; 23.53932; 18.81353 90; 100.857; 90 | 4507.26 | Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich Understanding and tuning the electronic structure of pentalenides. Chemical science, 2024, 15, 12765-12779 |
| 1572108 | CIF | C27 H22 | P 1 21/n 1 | 11.0112; 8.7626; 19.1326 90; 91.573; 90 | 1845.35 | Jenek, Niko A.; Helbig, Andreas; Boyt, Stuart M.; Kaur, Mandeep; Sanderson, Hugh J.; Reeksting, Shaun B.; Kociok-Köhn, Gabriele; Helten, Holger; Hintermair, Ulrich Understanding and tuning the electronic structure of pentalenides. Chemical science, 2024, 15, 12765-12779 |
| 1572109 | CIF | C22 H33 N2 P | P -1 | 8.9968; 11.2118; 11.8 97.93; 103.022; 108.05 | 1074.49 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
| 1572110 | CIF | C23 H33 N2 P | P n m a | 9.9418; 16.3863; 13.0368 90; 90; 90 | 2123.8 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
| 1572111 | CIF | C34 H55 I N2 O3 P Y | P 21 21 21 | 13.453; 14.372; 19.53 90; 90; 90 | 3776 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
| 1572112 | CIF | C34 H55 I Lu N2 O3 P | P 21 21 21 | 13.4115; 14.1878; 19.0912 90; 90; 90 | 3632.7 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
| 1572113 | CIF | C47 H70 N2 O2 P Y | P 1 21/c 1 | 10.0823; 28.934; 15.635 90; 99.158; 90 | 4502.9 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
| 1572114 | CIF | C34 H55 I La N2 O3 P | P 21 21 21 | 13.352; 14.546; 19.171 90; 90; 90 | 3723.4 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
| 1572115 | CIF | C51 H69 La N2 O2 P | P -4 21 m | 21.1393; 21.1393; 10.827 90; 90; 90 | 4838.3 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
| 1572116 | CIF | C47 H70 Lu N2 O2 P | P 1 21/c 1 | 10.0585; 28.9336; 15.5726 90; 99.117; 90 | 4474.8 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
| 1572117 | CIF | C92 H139 N4 O3.5 P2 Y2 | P -1 | 12.7857; 18.839; 19.534 98.801; 105.57; 99.416 | 4374.4 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
| 1572120 | CIF | C18 H24 O4 | P 21 21 21 | 10.29909; 10.79136; 27.3078 90; 90; 90 | 3035.02 | Kim, Ryungwoo; Wu, Yanting; Tong, Rongbiao Asymmetric total syntheses of sarglamides A, C, D, E, and F. Chemical science, 2024, 15, 12856-12860 |
| 1572121 | CIF | C17 H35 Fe N3 O S2 | P c a 21 | 19.3307; 12.1908; 9.1228 90; 90; 90 | 2149.85 | Lundahl, Maike N.; Greiner, Maria B.; Piquette, Marc C.; Gannon, Paige M.; Kaminsky, Werner; Kovacs, Julie A. Exploring the influence of H-bonding and ligand constraints on thiolate ligated non-heme iron mediated dioxygen activation. Chemical science, 2024, 15, 12710-12720 |
| 1572123 | CIF | C15 H12 F3 N O2 | P n a 21 | 12.3091; 5.0734; 41.7053 90; 90; 90 | 2604.45 | Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro Preparation of intrinsically fragile bent crystals. Chemical science, 2024, 15, 12258-12263 |
| 1572124 | CIF | C15 H12 F3 N O2 | P -1 | 6.6355; 7.3234; 15.7183 82.822; 80.835; 65.136 | 682.74 | Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro Preparation of intrinsically fragile bent crystals. Chemical science, 2024, 15, 12258-12263 |
| 1572125 | CIF | C15 H12 F3 N O2 | P 1 21/n 1 | 4.9586; 11.2709; 24.119 90; 95.674; 90 | 1341.36 | Seki, Tomohiro; Kobayashi, Shiori; Ishikawa, Rintaro; Yano, Keigo; Matsuo, Takumi; Hayashi, Shotaro Preparation of intrinsically fragile bent crystals. Chemical science, 2024, 15, 12258-12263 |
| 1572126 | CIF | C104 H83 F12 N5 O P2 | P 1 21/n 1 | 7.2201; 18.5131; 31.5422 90; 90.9593; 90 | 4215.5 | Meador, William E.; Saucier, Matthew A.; Tucker, Max R.; Kruse, Nicholas A.; Mobley, Alexander J.; Brower, Connor R.; Parkin, Sean R.; Clark, Kensha M.; Hammer, Nathan I.; Tschumper, Gregory S.; Delcamp, Jared H. Extended shortwave infrared absorbing antiaromatic fluorenium-indolizine chromophores. Chemical science, 2024, 15, 12349-12360 |
| 1572130 | CIF | C17 H35 Cl3 Co O9 P3 Pu | P 1 21/n 1 | 10.763; 15.914; 18.23 90; 95.148; 90 | 3109.9 | Shaw, Thomas E.; Jones, Zachary R.; Adelman, Sara L.; Anderson, Nickolas H.; Bowes, Eric G.; Bauer, Eric D.; Dan, David; Klouda, Jan; Knope, Karah E.; Kozimor, Stosh A.; MacInnes, Molly M.; Mocko, Veronika; Rocha, Francisca R.; Root, Harrison D.; Stein, Benjamin W.; Thompson, Joe D.; Wacker, Jennifer N. PuCl<sub>3</sub>{CoCp[OP(OEt)<sub>2</sub>]<sub>3</sub>}: transuranic elements entering the field of heterometallic molecular chemistry. Chemical science, 2024, 15, 12754-12764 |
| 1572136 | CIF | C40 H30 N10 Ni O4 | P 1 21/n 1 | 7.6006; 22.3585; 20.9221 90; 90.948; 90 | 3554.97 | Sakurai, Takahiro; Tanabe, Tappei; Iguchi, Hiroaki; Li, Zhuowei; Matsuda, Wakana; Tsutsui, Yusuke; Seki, Shu; Matsuda, Ryotaro; Shinokubo, Hiroshi An n-type semiconducting diazaporphyrin-based hydrogen-bonded organic framework. Chemical science, 2024, 15, 12922-12927 |
| 1572137 | CIF | C203 H178 F24 N12 O5 P4 Rh4 | P -1 | 17.8348; 22.4557; 25.22 105.856; 107.732; 105.18 | 8573.1 | Ibáñez, Susana; Mejuto, Carmen; Cerón, Katherin; Sanz Miguel, Pablo J.; Peris, Eduardo A corannulene-based metallobox for the encapsulation of fullerenes. Chemical science, 2024, 15, 13415-13420 |
| 1572138 | CIF | C60 H52 B N2 S | P -1 | 11.287; 12.693; 18.454 101.306; 101.726; 97.471 | 2498 | Zhong, Rui; Wang, Mengyu; Wang, Xingdong; Wang, Shumeng; Shao, Shiyang; Wang, Lixiang 10-Dibenzothiophenyl-9,9-diphenylacridane-based multiple resonance emitters for high-efficiency narrowband green OLEDs with CIE <i>y</i> > 0.7 at high doping concentrations. Chemical science, 2024, 15, 13290-13298 |
| 1572139 | CIF | C19 H19 N O2 | P 1 | 5.9905; 8.0684; 16.5496 96.029; 98.627; 92.934 | 784.65 | Zhang, Hao; Wen, Wei; Wang, Yu-Yang; Lu, Ze-Xi; Liu, Jin-Long; Wu, Zhu-Lian; Cai, Tian; Guo, Qi-Xiang Asymmetric bifunctionalization of allenes with aryl iodides and amino acids enabled by chiral aldehyde/palladium combined catalysis. Chemical science, 2024, 15, 12983-12988 |
| 1572140 | CIF | C48 H34 N2 S | C 1 2/c 1 | 14.2638; 17.9124; 14.1231 90; 105.354; 90 | 3479.6 | Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers. Chemical science, 2024, 15, 13001-13010 |
| 1572141 | CIF | C48 H34 N2 O2 S | C 1 2/c 1 | 14.6095; 17.9909; 14.0147 90; 104.842; 90 | 3560.7 | Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers. Chemical science, 2024, 15, 13001-13010 |
| 1572142 | CIF | C48 H34 N2 O S | C 1 c 1 | 14.3196; 17.8821; 14.0725 90; 104.757; 90 | 3484.6 | Gong, Jianye; Wang, Xiaopeng; Zhang, Weijing; Wu, Yifan; Li, Kai; Sha, Renmanduhu; Liu, Lingxiu; Li, Chunbin; Feng, Lina; Jiang, Guoyu; Wang, Jianguo; Tang, Ben Zhong Sulfur oxidation states manipulate excited state electronic configurations for constructing highly efficient organic type I photosensitizers. Chemical science, 2024, 15, 13001-13010 |
| 1572143 | CIF | C50 H78 Cl2 Ge N6 O1.5 P2 | P c c n | 17.37; 18.92; 33.75 90; 90; 90 | 11092 | Kreimer, Lisa N.; Hadlington, Terrance J. Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes. Chemical science, 2024, 15, 14154-14160 |
| 1572144 | CIF | C82 H120 N8 Ni2 O2 P4 | P -1 | 10.76; 12.31; 15.63 97.5; 99.4; 96 | 2008.2 | Kreimer, Lisa N.; Hadlington, Terrance J. Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes. Chemical science, 2024, 15, 14154-14160 |
| 1572145 | CIF | C72 H108 N4 Ni2 O4 P4 | P -1 | 9.912; 14.075; 15.094 66.91; 70.89; 76.79 | 1818.2 | Kreimer, Lisa N.; Hadlington, Terrance J. Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes. Chemical science, 2024, 15, 14154-14160 |
| 1572146 | CIF | C22.5 H34 N2 Ni0.5 O P | P 1 21/c 1 | 15.304; 34.054; 9.7484 90; 97.35; 90 | 5038.8 | Kreimer, Lisa N.; Hadlington, Terrance J. Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes. Chemical science, 2024, 15, 14154-14160 |
| 1572147 | CIF | C66 H88 N8 Ni2 O2 P4 | P 1 21/n 1 | 9.89; 21.59; 15.52 90; 93.1; 90 | 3309.1 | Kreimer, Lisa N.; Hadlington, Terrance J. Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes. Chemical science, 2024, 15, 14154-14160 |
| 1572148 | CIF | C82 H120 Cl2 Cu2 N8 Ni2 O2 P4 | I 41/a :2 | 35.655; 35.655; 15.13 90; 90; 90 | 19234 | Kreimer, Lisa N.; Hadlington, Terrance J. Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes. Chemical science, 2024, 15, 14154-14160 |
| 1572149 | CIF | C30 H38 N4 O P2 | P 1 21/n 1 | 10.84; 23.82; 26.54 90; 100.2; 90 | 6745 | Kreimer, Lisa N.; Hadlington, Terrance J. Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes. Chemical science, 2024, 15, 14154-14160 |
| 1572150 | CIF | C41 H60 N4 O P2 | P 1 21/n 1 | 18.707; 15.187; 31.54 90; 99.45; 90 | 8839 | Kreimer, Lisa N.; Hadlington, Terrance J. Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes. Chemical science, 2024, 15, 14154-14160 |
| 1572151 | CIF | C58 H68 I3 N6 Na O9 | P 1 21/n 1 | 21.3809; 11.8823; 26.6796 90; 100.995; 90 | 6653.6 | Tay, Hui Min; Docker, Andrew; Hua, Carol; Beer, Paul D. Selective sodium halide over potassium halide binding and extraction by a heteroditopic halogen bonding [2]catenane. Chemical science, 2024, 15, 13074-13081 |
| 1572152 | CIF | C38 H33 Br N2 O2 | P -1 | 12.7215; 15.7043; 16.4829 99.04; 90.039; 111.104 | 3028.1 | Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation. Chemical science, 2024, 15, 13541-13549 |
| 1572153 | CIF | C42 H35 N3 O4 | P 21 21 21 | 11.4007; 12.6971; 23.0034 90; 90; 90 | 3329.88 | Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation. Chemical science, 2024, 15, 13541-13549 |
| 1572154 | CIF | C35 H34 N2 O2 | P 1 21 1 | 10.8233; 7.0541; 18.1771 90; 94.633; 90 | 1383.26 | Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation. Chemical science, 2024, 15, 13541-13549 |
| 1572155 | CIF | C45 H41 N3 O6 | P 21 21 21 | 10.0009; 11.0174; 34.0362 90; 90; 90 | 3750.2 | Hu, Xueqing; Zhao, Yunxu; He, Tong; Niu, Caoyue; Liu, Feipeng; Jia, Wei; Mu, Yi; Li, Xingwei; Rong, Zi-Qiang Access to distal biaxial atropisomers by iridium catalyzed asymmetric C-H alkylation. Chemical science, 2024, 15, 13541-13549 |
| 1572156 | CIF | C18 H18 O2 S | P -1 | 9.12295; 9.29509; 10.32066 66.4462; 78.678; 73.4692 | 765.7 | Chi, Zhuomin; Zhou, Yongchao; Liu, Bingbing; Xu, Xiaojing; Liu, Xueyuan; Liang, Yongmin Nickel-catalyzed regiodivergent sulfonylarylation of 1,3-enynes to access allenes and dienes. Chemical science, 2024, 15, 13271-13278 |
| 1572160 | CIF | C32 H64 N4 S4 U | P 1 21/c 1 | 21.6654; 11.6105; 15.6201 90; 96.284; 90 | 3905.57 | Kelly, Sheridon N.; Russo, Dominic R.; Ouellette, Erik T.; Roy, Debashree; Swift, Andrew J.; Boreen, Michael A.; Smith, Patrick W.; Moreau, Liane M.; Arnold, John; Minasian, Stefan G. Formation of uranium disulfide from a uranium thioamidate single-source precursor. Chemical science, 2024, 15, 13325-13332 |
| 1572161 | CIF | C21 H31 Cl Cu N | P 21 21 21 | 8.14215; 11.39563; 21.7386 90; 90; 90 | 2017.01 | Madron du Vigné, Adrien; Cramer, Nicolai Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes. Chemical science, 2024, 15, 13864-13871 |
| 1572162 | CIF | C21 H31 Cl Cu N | P 1 21 1 | 9.6227; 8.2304; 12.9158 90; 98.352; 90 | 1012.07 | Madron du Vigné, Adrien; Cramer, Nicolai Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes. Chemical science, 2024, 15, 13864-13871 |
| 1572163 | CIF | C23 H35 Cl Cu N | P 21 21 21 | 10.5297; 13.2008; 16.3003 90; 90; 90 | 2265.75 | Madron du Vigné, Adrien; Cramer, Nicolai Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes. Chemical science, 2024, 15, 13864-13871 |
| 1572164 | CIF | C23 H35 Cl Cu N S | P 1 21 1 | 8.5182; 15.3074; 9.1646 90; 103.104; 90 | 1163.87 | Madron du Vigné, Adrien; Cramer, Nicolai Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes. Chemical science, 2024, 15, 13864-13871 |
| 1572165 | CIF | C48 H69 Cl2 N O Ru | P 1 21 1 | 18.5489; 8.927; 27.5267 90; 109.441; 90 | 4298.2 | Madron du Vigné, Adrien; Cramer, Nicolai Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes. Chemical science, 2024, 15, 13864-13871 |
| 1572166 | CIF | C35 H45 Cl2 N O Ru | P 21 21 21 | 11.5043; 16.034; 17.8672 90; 90; 90 | 3295.78 | Madron du Vigné, Adrien; Cramer, Nicolai Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes. Chemical science, 2024, 15, 13864-13871 |
| 1572167 | CIF | C88.5 H95 O8 | P 1 | 7.4527; 16.7911; 18.3652 105.931; 93.863; 90.313 | 2204.23 | Kundu, Sourav; Jana, Debgopal; Mandal, Nilangshu; Mondal, Ayan; Murmu, Ranjit; Roy, Nanda Kishore; Datta, Ayan; Bisai, Alakesh Biomimetic total synthesis of the reported structure of (+)-selaginedorffone B Chemical Science, 2024 |
| 1572168 | CIF | C42 H52 O6 | P 21 21 21 | 6.7962; 21.0544; 25.6129 90; 90; 90 | 3664.95 | Kundu, Sourav; Jana, Debgopal; Mandal, Nilangshu; Mondal, Ayan; Murmu, Ranjit; Roy, Nanda Kishore; Datta, Ayan; Bisai, Alakesh Biomimetic total synthesis of the reported structure of (+)-selaginedorffone B Chemical Science, 2024 |
| 1572169 | CIF | C42 H46 O6 | P 1 | 6.2642; 8.0505; 36.8967 86.519; 86.864; 67.266 | 1711.99 | Kundu, Sourav; Jana, Debgopal; Mandal, Nilangshu; Mondal, Ayan; Murmu, Ranjit; Roy, Nanda Kishore; Datta, Ayan; Bisai, Alakesh Biomimetic total synthesis of the reported structure of (+)-selaginedorffone B Chemical Science, 2024 |
| 1572170 | CIF | C22 H34 B2 F6 N6 | P 1 21/c 1 | 11.5578; 15.0808; 15.1865 90; 109.789; 90 | 2490.7 | Sire, Charline; Meneyrol, Vincent; Saffon-Merceron, Nathalie; Terreno, Enzo; Garello, Francesca; Tei, Lorenzo; Jestin, Emmanuelle; Tripier, Raphaël; Troadec, Thibault A versatile fluorinated azamacrocyclic chelator enabling <sup>18</sup>F PET or <sup>19</sup>F MRI: a first step towards new multimodal and smart contrast agents. Chemical science, 2024, 15, 13550-13557 |
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