Crystallography Open Database
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Searching journal of publication like 'Chemical science' volume of publication is 8
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1544287 | CIF | C50 H86 P3 Rh | P 1 21/c 1 | 10.4706; 22.65; 19.939 90; 98.7248; 90 | 4674 | Suga, Takuya; Saitou, Takanobu; Takaya, Jun; Iwasawa, Nobuharu Mechanistic study of the rhodium-catalyzed carboxylation of simple aromatic compounds with carbon dioxide Chem. Sci., 2017, 8, 1454 |
| 1544314 | CIF | C26 H23 O P S2 | P -1 | 8.4616; 11.5086; 12.4957 83.427; 77.321; 83.71 | 1174.89 | Wu, Nathan Man-Wai; Wong, Hok-Lai; Yam, Vivian Wing-Wah Photochromic benzo[b]phosphole oxide with excellent thermal irreversibility and fatigue resistance in the thin film solid state via direct attachment of dithienyl units to the weakly aromatic heterocycle Chem. Sci., 2017, 8, 1309 |
| 1544315 | CIF | C20 H19 Fe N O | P 21 21 21 | 5.7992; 11.4342; 24.017 90; 90; 90 | 1592.5 | Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand. Chemical science, 2017, 8, 1344-1349 |
| 1544316 | CIF | C22 H21 Fe N O3 | P 32 | 9.7138; 9.7138; 33.882 90; 90; 120 | 2768.7 | Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand. Chemical science, 2017, 8, 1344-1349 |
| 1544356 | CIF | C33 H46 Br N O5 Si | P 21 21 21 | 9.091; 18.1061; 20.6924 90; 90; 90 | 3406 | Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel Stereodivergent, Diels‒Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application Chem. Sci., 2017, 8, 1511 |
| 1544357 | CIF | C18 H21 Br N2 O3 | P 1 21 1 | 8.8396; 17.5572; 11.6494 90; 94.347; 90 | 1802.77 | Sadhukhan, Arghya; Hobbs, Melanie C.; Meijer, Anthony J. H. M.; Coldham, Iain Highly enantioselective metallation‒substitution alpha to a chiral nitrile Chem. Sci., 2017, 8, 1436 |
| 1544369 | CIF | C60 H72 Br2 F48 I6 K2 N4 O12 | P -3 | 11.727; 11.727; 20.29 90; 90; 120 | 2416.5 | Kumar, Vijith; Pilati, Tullio; Terraneo, Giancarlo; Meyer, Franck; Metrangolo, Pierangelo; Resnati, Giuseppe Halogen bonded Borromean networks by design: topology invariance and metric tuning in a library of multi-component systems Chem. Sci., 2017, 8, 1801 |
| 1544385 | CIF | C114.7 H129.68 Br0.47 Cl3.14 I12 N24 O0.93 Zn6 | C 1 2 1 | 35.1845; 14.8561; 31.0855 90; 101.739; 90 | 15908.7 | Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method Chem. Sci., 2017, 8, 1547 |
| 1544386 | CIF | C118.68 H134.52 Br0.86 Cl0.86 I12 N24 O1.71 Zn6 | C 1 2 1 | 35.2593; 14.8434; 31.0697 90; 101.611; 90 | 15928.1 | Lee, Shoukou; Hoshino, Manabu; Fujita, Makoto; Urban, Sylvia Cycloelatanene A and B: absolute configuration determination and structural revision by the crystalline sponge method Chem. Sci., 2017, 8, 1547 |
| 1544404 | CIF | C37 H36 Cl F5 N4 O2 U | C 1 c 1 | 24.5647; 8.4279; 16.8859 90; 91.172; 90 | 3495.14 | Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B. Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin. Chemical science, 2017, 8, 108-116 |
| 1544405 | CIF | C51 H50 Cl3 F5 N4 O2 Ti2 U | P 1 21/c 1 | 14.486; 30.377; 12.092 90; 107.081; 90 | 5086 | Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B. Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin. Chemical science, 2017, 8, 108-116 |
| 1544406 | CIF | C37 H38 Cl Co F5 N4 O2.5 U | P 1 21/c 1 | 16.0945; 28.2241; 19.2594 90; 105.247; 90 | 8440.7 | Pankhurst, James R.; Bell, Nicola L.; Zegke, Markus; Platts, Lucy N.; Lamfsus, Carlos Alvarez; Maron, Laurent; Natrajan, Louise S.; Sproules, Stephen; Arnold, Polly L.; Love, Jason B. Inner-sphere vs. outer-sphere reduction of uranyl supported by a redox-active, donor-expanded dipyrrin. Chemical science, 2017, 8, 108-116 |
| 1544443 | CIF | C24 H16 O2 S2 | P 1 21/n 1 | 9.6533; 13.2733; 15.1062 90; 90.485; 90 | 1935.51 | Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism Chem. Sci., 2017, 8, 1909 |
| 1544444 | CIF | C37 H24 Cl2 O2 S3 | C 1 2/c 1 | 9.3865; 12.1945; 26.4154 90; 94.268; 90 | 3015.22 | Xu, Bingjia; Wu, Haozhong; Chen, Junru; Yang, Zhan; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Aldred, Matthew White-light emission from a single heavy atom-free molecule with room temperature phosphorescence, mechanochromism and thermochromism Chem. Sci., 2017, 8, 1909 |
| 1544458 | CIF | C11 H11 Cl N2 O5 | P 1 21/c 1 | 6.98145; 21.3099; 8.10016 90; 97.9679; 90 | 1193.46 | Liang, Jun; Chen, Rui-Ping; Wang, Xiu-Yun; Liu, Tao-Tao; Wang, Xu-Sheng; Huang, Yuan-Biao; Cao, Rong Postsynthetic ionization of an imidazole-containing metal-organic framework for the cycloaddition of carbon dioxide and epoxides. Chemical science, 2017, 8, 1570-1575 |
| 1544462 | CIF | C27 H32 N2 O7 | P -1 | 9.067; 9.572; 14.08 89.833; 82.205; 85.541 | 1207 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544463 | CIF | C25 H32 Cl2 N2 O6 | P 21 21 21 | 7.8529; 15.3187; 20.944 90; 90; 90 | 2519.5 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544464 | CIF | C31 H38 N2 O5 | I 4 | 27.2685; 27.2685; 7.6863 90; 90; 90 | 5715.3 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544465 | CIF | C25 H30 N2 O7 | P 21 21 21 | 8.9658; 14.5779; 17.7311 90; 90; 90 | 2317.5 | Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L. Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity. Chemical science, 2017, 8, 1560-1569 |
| 1544481 | CIF | C20 H15 Br Cl2 O S | P 1 21/c 1 | 5.0603; 21.361; 17.169 90; 96.419; 90 | 1844.2 | Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science, 2017, 8, 1601-1606 |
| 1544482 | CIF | C24 H16 Cl N O3 S | P 1 21/c 1 | 18.742; 15.6215; 13.97 90; 98.216; 90 | 4048.1 | Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science, 2017, 8, 1601-1606 |
| 1544483 | CIF | C11 H8.5 F1.5 O2 S | P 1 21/c 1 | 6.0792; 14.673; 23.976 90; 91.386; 90 | 2138 | Chen, Dengfeng; Feng, Qingyuan; Yang, Yunqin; Cai, Xu-Min; Wang, Fei; Huang, Shenlin Metal-free O-H/C-H difunctionalization of phenols by o-hydroxyarylsulfonium salts in water. Chemical science, 2017, 8, 1601-1606 |
| 1544510 | CIF | C16 H20 Cl2 Ir N2 O2 | P -1 | 7.8768; 8.0811; 8.6738 68.1; 66.086; 61.433 | 432.1 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544511 | CIF | C16 H20 Cl2 Ir N2 O2 | I 41/a | 16.9129; 16.9129; 25.3688 90; 90; 90 | 7256.6 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544512 | CIF | C16 H23 Cl2 Ir N2 O3 | P -1 | 8.8884; 9.6675; 12.5862 95.132; 109.482; 110.349 | 929.79 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544513 | CIF | C18 H24 Cl2 Ir N2 O3 | P 1 21/n 1 | 7.9001; 18.4626; 14.3136 90; 95.04; 90 | 2079.66 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544514 | CIF | C17 H22 Cl4 Ir N2 O2 | P 1 21/n 1 | 8.7599; 15.6388; 15.6017 90; 98.373; 90 | 2114.56 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544515 | CIF | C33 H48 Cl6 Ir2 N4 O6 | P 1 21/c 1 | 9.044; 13.823; 17.039 90; 95.227; 90 | 2121 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544516 | CIF | C8 H15 Cl4 Ir N Na O3.5 | P -1 | 8.4303; 13.4446; 14.3559 74.431; 85.859; 81.771 | 1550.31 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544517 | CIF | C33 H42 Cl6 Ir2 N4 O4 | P b c a | 14.9782; 15.0278; 17.4463 90; 90; 90 | 3927 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
| 1544536 | CIF | C24 H18 Br N O3 | P 21 21 21 | 8.8078; 9.5713; 23.675 90; 90; 90 | 1995.9 | Chen, Xiang-Yu; Chen, Kun-Quan; Sun, De-Qun; Ye, Song N-Heterocyclic carbene-catalyzed oxidative [3 + 2] annulation of dioxindoles and enals: cross coupling of homoenolate and enolate. Chemical science, 2017, 8, 1936-1941 |
| 1544554 | CIF | C25 H32 Si2 | P b c a | 6.657; 34.537; 19.811 90; 90; 90 | 4555 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
| 1544555 | CIF | C29 H34 Si2 | P 1 21/c 1 | 15.291; 11.701; 14.17 90; 93.057; 90 | 2532 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
| 1544556 | CIF | C27 H36 N2 O2 Si2 | P -1 | 7.221; 11.79; 16.389 110.915; 93.663; 94.99 | 1291.6 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
| 1544557 | CIF | C23 H11 F8 N3 O | P 1 21/c 1 | 6.5595; 41.849; 6.9922 90; 94.939; 90 | 1912.3 | Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study. Chemical science, 2017, 8, 2086-2090 |
| 1544558 | CIF | C32 H22 F4 I2 N6 O2 | P 1 21/c 1 | 15.842; 5.698; 16.7517 90; 94.72; 90 | 1507 | Lin, Heyang; Chang, Xueping; Yan, Dongpeng; Fang, Wei-Hai; Cui, Ganglong Tuning excited-state-intramolecular-proton-transfer (ESIPT) process and emission by cocrystal formation: a combined experimental and theoretical study. Chemical science, 2017, 8, 2086-2090 |
| 1544602 | CIF | C56 H72 F12 N4 O2 Si2 Zn2 | P 1 21/c 1 | 11.3281; 24.0698; 13.5639 90; 110.91; 90 | 3454.8 | Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B. A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide Chem. Sci., 2017, 8, 1876 |
| 1544603 | CIF | C31 H45 F6 N3 Si2 Zn | P -1 | 10.5225; 11.8495; 16.4988 91.643; 107.641; 115.266 | 1742.8 | Reiter, M.; Vagin, S.; Kronast, A.; Jandl, C.; Rieger, B. A Lewis acid β-diiminato-zinc-complex as all-rounder for co- and terpolymerisation of various epoxides with carbon dioxide Chem. Sci., 2017, 8, 1876 |
| 1544629 | CIF | C56 H68 B4 Cl8 Fe2 N14 O12 | P 1 21/c 1 | 19.4453; 15.7177; 23.5873 90; 109.174; 90 | 6809.2 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544630 | CIF | C43 H54 B4 Cl6 Fe2 N14 O12 | P -1 | 8.4174; 19.6607; 20.1792 60.961; 79.048; 87.787 | 2860.9 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544631 | CIF | C226 H267 B20 F16 Fe8 N65 O48 Pd2 | P -1 | 20.2193; 20.6255; 21.5175 63.61; 76.958; 85.618 | 7828.1 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544632 | CIF | C160 H192 B20 F16 Fe8 N56 O48 Pd2 | P 1 2/c 1 | 41.2884; 14.0841; 54.0058 90; 97.789; 90 | 31115.2 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544633 | CIF | C262 H304 B20 F16 Fe8 N64 O50 Pd2 S0.5 | P -1 | 21.3764; 21.4422; 23.5362 105.44; 91.132; 90.267 | 10396.1 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544634 | CIF | C244 H264 B20 F16 Fe8 N56 O56 Pd2 | P -1 | 20.6996; 21.9894; 23.0916 96.416; 91.4; 109.195 | 9843.2 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544635 | CIF | C264 H306 B20 F16 Fe8 N62 O56 Pd2 | P 4/m n c | 17.5471; 17.5471; 62.6742 90; 90; 90 | 19297.4 | Jansze, Suzanne M.; Wise, Matthew D.; Vologzhanina, Anna V.; Scopelliti, Rosario; Severin, Kay PdII2L4-type coordination cages up to three nanometers in size Chem. Sci., 2017, 8, 1901 |
| 1544644 | CIF | C70 H83 Sb4 Y3 | C 1 c 1 | 14.8643; 19.384; 24.2728 90; 107.004; 90 | 6688 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544645 | CIF | C70 H83 Dy3 Sb4 | C 1 c 1 | 14.8968; 19.3308; 24.2616 90; 106.568; 90 | 6696.5 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544646 | CIF | C70 H83 Dy3 Sb3 | C 1 c 1 | 15.113; 18.7437; 24.0965 90; 103.339; 90 | 6641.75 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544647 | CIF | C70 H83 Sb3 Y3 | C 1 c 1 | 15.1052; 18.7715; 24.1263 90; 103.437; 90 | 6653.68 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544648 | CIF | C18 H24 Sb2 | P -1 | 5.174; 7.9835; 11.2694 88.921; 79.679; 73.714 | 439.35 | Pugh, Thomas; Chilton, Nicholas F.; Layfield, Richard A. Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling. Chemical science, 2017, 8, 2073-2080 |
| 1544655 | CIF | C90 H121 F6 N7 O18 P | P 1 21/c 1 | 22.63; 23.529; 19.425 90; 112.979; 90 | 9522 | Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes. Chemical science, 2017, 8, 2091-2100 |
| 1544656 | CIF | C216 H292 F12 N20 O36 P2 | P 1 21/n 1 | 22.928; 25.6042; 23.2131 90; 111.03; 90 | 12719.6 | Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes. Chemical science, 2017, 8, 2091-2100 |
| 1544657 | CIF | C12 H30 I6 N2 Pb | P b c a | 9.0651; 8.8852; 33.617 90; 90; 90 | 2707.7 | Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I. Decreasing the electronic confinement in layered perovskites through intercalation. Chemical science, 2017, 8, 1960-1968 |
| 1544658 | CIF | C39 H36 Cl2 Ir O2 P | C 1 2 1 | 19.385; 16.22; 10.9215 90; 107.035; 90 | 3283.3 | Yang, Shuang; Che, Wen; Wu, Hui-Ling; Zhu, Shou-Fei; Zhou, Qi-Lin Neutral iridium catalysts with chiral phosphine-carboxy ligands for asymmetric hydrogenation of unsaturated carboxylic acids. Chemical science, 2017, 8, 1977-1980 |
| 1544660 | CIF | C45 H43 Cl11 N O P Pd | P 21 21 21 | 13.7983; 18.7174; 19.3028 90; 90; 90 | 4985.3 | Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F. Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters. Chemical science, 2017, 8, 1981-1985 |
| 1544661 | CIF | C17 H17 N | P 21 21 21 | 6.077; 7.7665; 27.619 90; 90; 90 | 1303.5 | Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F. Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters. Chemical science, 2017, 8, 1981-1985 |
| 1544701 | CIF | C81.75 H139 F6 N17 O9.75 P | P 21 21 21 | 20.2513; 20.7166; 21.07611 90; 90; 90 | 8842.23 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544702 | CIF | C82 H140 F6 N16 O10 P Sb | P 1 21 1 | 20.20836; 21.378; 20.70075 90; 90.0578; 90 | 8943.02 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544703 | CIF | C82 H140 B F4 N17 O10 | P 21 21 21 | 20.03081; 20.92663; 20.97159 90; 90; 90 | 8790.82 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544704 | CIF | C81.75 H139 N17 O13.75 Re | P 21 21 21 | 20.1641; 20.8019; 21.1254 90; 90; 90 | 8861.1 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544705 | CIF | C82 H140 I N16 O14 P | P 1 21 1 | 20.1263; 21.3089; 20.7811 90; 90.0371; 90 | 8912.4 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544706 | CIF | C83 H140 F3 N17 O13 S | P 21 21 21 | 20.27229; 20.7328; 21.02695 90; 90; 90 | 8837.66 | Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution Chem. Sci., 2017, 8, 2184 |
| 1544742 | CIF | C26 H38 Au N2 P S | P 1 21/c 1 | 12.4327; 15.7628; 12.9117 90; 97.2061; 90 | 2510.37 | Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands. Chemical science, 2017, 8, 2352-2364 |
| 1544743 | CIF | C32 H25 Au N2 O2 | P 1 21/c 1 | 11.4778; 20.461; 11.6734 90; 111.062; 90 | 2558.3 | Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands. Chemical science, 2017, 8, 2352-2364 |
| 1544744 | CIF | C39 H51 Au B F2 N2 P | P 1 21/n 1 | 10.9501; 25.1526; 13.6349 90; 102.556; 90 | 3665.6 | Chan, Kaai Tung; Tong, Glenna So Ming; To, Wai-Pong; Yang, Chen; Du, Lili; Phillips, David Lee; Che, Chi-Ming The interplay between fluorescence and phosphorescence with luminescent gold(i) and gold(iii) complexes bearing heterocyclic arylacetylide ligands. Chemical science, 2017, 8, 2352-2364 |
| 1544751 | CIF | C35 H53 Fe N2 P3 Si | P c a 21 | 17.8087; 11.3207; 17.3127 90; 90; 90 | 3490.36 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544752 | CIF | C43 H65 Fe N3 Na O2 P3 Si | P 1 21/c 1 | 13.454; 10.208; 32.264 90; 90.86; 90 | 4431 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544753 | CIF | C69 H71 B F24 Fe N2 O0.5 P3 Si | P -1 | 13.2134; 16.5453; 19.1158 107.944; 103.367; 104.913 | 3616.2 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544754 | CIF | C45 H69 Fe N5 Na O3 P3 Si | P 1 21/c 1 | 16.278; 12.177; 24.314 90; 90.733; 90 | 4819.1 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544755 | CIF | C35 H53 Fe N3 P3 Si | P -1 | 10.4778; 17.2329; 20.001 92.885; 96.497; 98.431 | 3541.2 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544756 | CIF | C73 H82 B F24 Fe N3 O1.5 P3 Si | P -1 | 12.6269; 16.1557; 20.397 86.951; 77.672; 72.605 | 3878.8 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544757 | CIF | C45 H69 Fe N5 Na O3 P3 Si | P n m a | 24.918; 16.256; 12.349 90; 90; 90 | 5002 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544758 | CIF | C39 H51 Cl Fe N3 P3 Si | P n a 21 | 38.962; 11.0406; 18.1487 90; 90; 90 | 7806.9 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544759 | CIF | C33 H45 Cl0 Fe N5 P3 Si | P 1 21 1 | 10.6457; 19.2443; 16.2208 90; 91.27; 90 | 3322.3 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544760 | CIF | C69 H70 B F24 Fe N4 O P3 Si | P -1 | 17.5105; 20.6792; 22.9097 102.798; 94.824; 111.77 | 7385 | Creutz, Sidney E.; Peters, Jonas C. Exploring secondary-sphere interactions in Fe-N x H y complexes relevant to N2 fixation. Chemical science, 2017, 8, 2321-2328 |
| 1544780 | CIF | C16 H32.72 N4 O12.36 Zr | P 4 c c | 13.0201; 13.0201; 13.1802 90; 90; 90 | 2234.3 | Pandya, Darpan N.; Bhatt, Nikunj; Yuan, Hong; Day, Cynthia S.; Ehrmann, Brandie M.; Wright, Marcus; Bierbach, Ulrich; Wadas, Thaddeus J. Zirconium tetraazamacrocycle complexes display extraordinary stability and provide a new strategy for zirconium-89-based radiopharmaceutical development. Chemical science, 2017, 8, 2309-2314 |
| 1544786 | CIF | C8 H16 Cl2 N4 O5 Pt | P 1 21/c 1 | 12.2584; 10.9135; 21.9058 90; 104.66; 90 | 2835.2 | Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K. An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo Chem. Sci., 2017, 8, 2241 |
| 1544787 | CIF | C9 H20 Cl2 N4 O7 Pt | C 1 2/c 1 | 27.345; 10.1753; 12.3345 90; 101.328; 90 | 3365.1 | Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K. An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo Chem. Sci., 2017, 8, 2241 |
| 1544788 | CIF | C697 H897 Ag115 P12 S81 | P -1 | 29.4745; 35.8121; 48.4263 86.379; 75.637; 74.164 | 47638.4 | Bestgen, Sebastian; Fuhr, Olaf; Breitung, Ben; Kiran Chakravadhanula, Venkata Sei; Guthausen, Gisela; Hennrich, Frank; Yu, Wen; Kappes, Manfred M.; Roesky, Peter W.; Fenske, Dieter [Ag115S34(SCH2C6H4tBu)47(dpph)6]: synthesis, crystal structure and NMR investigations of a soluble silver chalcogenide nanocluster Chem. Sci., 2017, 8, 2235 |
| 1544802 | CIF | C35 H32 B2 Cl F18 N3 | P 1 21/n 1 | 11.379; 22.2822; 16.4411 90; 107.567; 90 | 3974.2 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544803 | CIF | C46 H51 B2 F18 N5 | C 1 2/c 1 | 12.936; 18.7832; 41.0326 90; 94.5442; 90 | 9938.7 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544804 | CIF | C31 H39.5 B F3.5 N5 O3 S | P -1 | 9.3972; 12.2337; 16.8072 73.1735; 77.1382; 68.1258 | 1701.94 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544805 | CIF | C12 H21 B F3 N5 O3 S | C m c 21 | 13.5787; 12.2769; 11.1774 90; 90; 90 | 1863.32 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544806 | CIF | C54 H53 B2 F24 N7 | P 21 21 21 | 12.6084; 19.7795; 24.1204 90; 90; 90 | 6015.3 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544807 | CIF | C35.38 H33.75 B2 Cl0.75 F18 N3 | I 1 2/a 1 | 25.1883; 12.192; 26.4276 90; 98.253; 90 | 8031.8 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544808 | CIF | C38.5 H35 B2 F18 N3 | P 1 21/n 1 | 12.2423; 22.642; 14.6138 90; 92.7542; 90 | 4046.12 | Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)](). Chemical science, 2017, 8, 2337-2343 |
| 1544809 | CIF | C14 H24 F6 Fe N24 O6 S2 | P -1 | 7.543; 11.336; 11.424 63.483; 89.755; 88.763 | 873.9 | Urtizberea, A.; Roubeau, O. Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound. Chemical science, 2017, 8, 2290-2295 |
| 1544810 | CIF | C14 H24 F6 Fe N24 O6 S2 | R -3 :H | 19.724; 19.724; 45.031 90; 90; 120 | 15172 | Urtizberea, A.; Roubeau, O. Switchable slow relaxation of magnetization in the native low temperature phase of a cooperative spin-crossover compound. Chemical science, 2017, 8, 2290-2295 |
| 1544822 | CIF | C14 H10 N2 O2 | P b c a | 8.2; 12.4012; 21.182 90; 90; 90 | 2154 | Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds. Chemical science, 2017, 8, 2431-2435 |
| 1544823 | CIF | C15 H14 N2 O2 | P 1 21/n 1 | 8.73; 13.396; 11.372 90; 101.968; 90 | 1301 | Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds. Chemical science, 2017, 8, 2431-2435 |
| 1544824 | CIF | C66 H52 Cl12 N2 O4 | P 43 | 13.9364; 13.9364; 34.5285 90; 90; 90 | 6706.24 | Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh Enhanced intersystem crossing in core-twisted aromatics Chem. Sci., 2017, 8, 1776 |
| 1544825 | CIF | C104 H86 N2 O4 | P -1 | 11.4627; 11.8704; 15.645 76.067; 89.834; 72.77 | 1968.03 | Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh Enhanced intersystem crossing in core-twisted aromatics Chem. Sci., 2017, 8, 1776 |
| 1544826 | CIF | C17 H17 N O | P 1 21/n 1 | 6.3989; 11.27072; 19.0731 90; 92.0107; 90 | 1374.71 | Kim, Jungwon; Hong, Soon Hyeok Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones. Chemical science, 2017, 8, 2401-2406 |
| 1544843 | CIF | C35 H28 N4 O | P 1 21/n 1 | 9.359; 10.6693; 27.872 90; 93.525; 90 | 2777.9 | Gao, Meng; Su, Huifang; Lin, Yuhan; Ling, Xia; Li, Shiwu; Qin, Anjun; Tang, Ben Zhong Photoactivatable aggregation-induced emission probes for lipid droplets-specific live cell imaging Chem. Sci., 2017, 8, 1763 |
| 1544851 | CIF | C24 H28 N2 O10 | P 1 21/c 1 | 6.241; 27.3263; 6.9456 90; 99.4148; 90 | 1168.57 | Sui, Qi; Ren, Xiang-Ting; Dai, Yu-Xiang; Wang, Kai; Li, Wen-Tao; Gong, Teng; Fang, Jia-Jia; Zou, Bo; Gao, En-Qing; Wang, Lin Piezochromism and hydrochromism through electron transfer: new stories for viologen materials Chem. Sci., 2017, 8, 2758 |
| 1544969 | CIF | C42 H50 F12 N10 O7 P2 Ru | C 1 2/c 1 | 21.9093; 15.8193; 19.1282 90; 130.884; 90 | 5012.2 | Smith, Nichola A.; Zhang, Pingyu; Greenough, Simon E.; Horbury, Michael D.; Clarkson, Guy J.; McFeely, Daniel; Habtemariam, Abraha; Salassa, Luca; Stavros, Vasilios G.; Dowson, Christopher G.; Sadler, Peter J. Combatting AMR: photoactivatable ruthenium(ii)-isoniazid complex exhibits rapid selective antimycobacterial activity. Chemical science, 2017, 8, 395-404 |
| 1544982 | CIF | C40 H89 Ga O13 Si3 | P -1 | 18.0886; 25.2724; 26.1157 62.983; 89.953; 89.655 | 10635.5 | Searles, Keith; Siddiqi, Georges; Safonova, Olga V.; Copéret, Christophe Silica-supported isolated gallium sites as highly active, selective and stable propane dehydrogenation catalysts Chem. Sci., 2017, 8, 2661 |
| 1544983 | CIF | C34 H30 Cu4 I4 N6 S4 | P 1 21/n 1 | 14.003; 8.7535; 16.9635 90; 93.969; 90 | 2074.32 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
| 1544984 | CIF | C34 H30 Cu4 I4 N6 S4 | P -1 | 8.811; 10.0997; 12.544 101.523; 102.995; 104.283 | 1014.82 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
| 1544985 | CIF | C35 H32 Cl2 Cu4 I4 N6 S4 | C 1 2/c 1 | 28.265; 16.1159; 10.1658 90; 109.463; 90 | 4366.1 | Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation Chem. Sci., 2017, 8, 2592 |
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