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 |
|---|---|---|---|---|---|---|
| 1545178 | CIF | C10 H11 N3 O6 S | P 1 21 1 | 6.8159; 9.972; 17.7839 90; 98.748; 90 | 1194.68 | Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates. Chemical science, 2017, 8, 2983-2993 |
| 1545180 | CIF | C10 H15.5 N4 O6.75 S | P 1 | 8.0883; 10.9716; 16.0771 72.07; 80.273; 86.279 | 1337.78 | Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak Expanding a fluorescent RNA alphabet: synthesis, photophysics and utility of isothiazole-derived purine nucleoside surrogates. Chemical science, 2017, 8, 2983-2993 |
| 1545026 | CIF | C10 H8 S2 | P 1 21/c 1 | 5.81321; 7.5432; 10.2777 90; 93.249; 90 | 449.95 | Viglianti, Lucia; Leung, Nelson L. C.; Xie, Ni; Gu, Xinggui; Sung, Herman H. Y.; Miao, Qian; Williams, Ian D.; Licandro, Emanuela; Tang, Ben Zhong Aggregation-induced emission: mechanistic study of the clusteroluminescence of tetrathienylethene Chem. Sci., 2017, 8, 2629 |
| 1545550 | CIF | C100 H112 N8 O2 S2 U2 | C 1 2/c 1 | 17.3745; 34.224; 17.013 90; 112.037; 90 | 9377.3 | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609 |
| 1544183 | CIF | C100 H136 N6 P4 Ti2 | C 1 2/c 1 | 30.5846; 15.6055; 25.1965 90; 129.98; 90 | 9215.1 | Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science, 2017, 8, 1209-1224 |
| 1545551 | CIF | C101 H105 N8 O2 S U2 | P -1 | 15.9605; 16.6905; 18.0699 67.132; 86.551; 82.45 | 4396.61 | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609 |
| 1545535 | CIF | C103 H97 N16 O38.5 | P 1 21/n 1 | 28.255; 51.842; 30.331 90; 110.957; 90 | 41490 | Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741 |
| 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 |
| 1544182 | CIF | C105 H192 Dy4 N12 O24 | C 1 2/c 1 | 28.1117; 20.1279; 22.8674 90; 105.985; 90 | 12438.7 | Pineda, Eufemio Moreno; Lan, Yanhua; Fuhr, Olaf; Wernsdorfer, Wolfgang; Ruben, Mario Exchange-bias quantum tunnelling in a CO2-based Dy4-single molecule magnet. Chemical science, 2017, 8, 1178-1185 |
| 1545552 | CIF | C106 H130 B K N8 O5 U2 | P n m a | 29.6933; 29.9161; 10.8656 90; 90; 90 | 9652 | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609 |
| 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 |
| 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 |
| 1545553 | CIF | C110 H138 B N8 Na O6 U2 | C 1 2/c 1 | 15.5798; 33.7862; 20.7334 90; 105.543; 90 | 10514.6 | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes Chem. Sci., 2017, 8, 3609 |
| 1544184 | CIF | C110 H176 N6 P6 Ti2 | I 1 2/a 1 | 18.5929; 12.9042; 22.7421 90; 98.499; 90 | 5396.5 | Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. Molecular titanium nitrides: nucleophiles unleashed. Chemical science, 2017, 8, 1209-1224 |
| 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 |
| 1544992 | CIF | C12 H13 F3 O2 S2 | P -1 | 5.6786; 8.4547; 15.2755 95.353; 96.231; 102.129 | 707.68 | Li, Haoyu; Shan, Cuicui; Tung, Chen-Ho; Xu, Zhenghu Dual gold and photoredox catalysis: visible light-mediated intermolecular atom transfer thiosulfonylation of alkenes Chem. Sci., 2017, 8, 2610 |
| 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 |
| 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 |
| 1544262 | CIF | C13 H10 N2 O2 | P 21 21 21 | 5.2167; 10.4562; 18.815 90; 90; 90 | 1026.3 | Xu, Pan; Wang, Guoqiang; Wu, Zhongkai; li, Shuhua; Zhu, Chengjian Rh(iii)-catalyzed double C‒H activation of aldehyde hydrazones: a route for functionalized 1H-indazole synthesis Chem. Sci., 2017, 8, 1303 |
| 1545176 | CIF | C13 H20 O4 | P 21 21 21 | 5.5604; 6.6895; 33.0826 90; 90; 90 | 1230.55 | Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L. Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights. Chemical science, 2017, 8, 2904-2913 |
| 1544206 | CIF | C13 H8 Au I2 N | P 1 21/c 1 | 10.4599; 13.687; 10.111 90; 116.27; 90 | 1298 | Serra, Jordi; Parella, Teodor; Ribas, Xavi Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis Chem. Sci., 2017, 8, 946 |
| 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 |
| 1544285 | CIF | C14 H10 N4 | P 1 21/n 1 | 9.3816; 6.7781; 16.9307 90; 99.5145; 90 | 1061.8 | Jash, Biswarup; Scharf, Philipp; Sandmann, Nikolas; Fonseca Guerra, Célia; Megger, Dominik A.; Müller, Jens A metal-mediated base pair that discriminates between the canonical pyrimidine nucleobases. Chemical science, 2017, 8, 1337-1343 |
| 1545175 | CIF | C14 H14 O4 | P 1 21 1 | 9.16074; 6.01447; 10.6243 90; 92.073; 90 | 584.984 | Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L. Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights. Chemical science, 2017, 8, 2904-2913 |
| 1544279 | CIF | C14 H22 Cl6 I2 P2 | C 1 2/c 1 | 23.5655; 10.2998; 20.9628 90; 98.051; 90 | 5037.9 | Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci., 2017, 8, 1463 |
| 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 |
| 1544278 | CIF | C14 H26 P2 | P 1 21/n 1 | 8.4848; 12.9532; 14.0671 90; 105.04; 90 | 1493.09 | Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C. A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling Chem. Sci., 2017, 8, 1463 |
| 1544211 | CIF | C14 H5 F6 N O2 | P -1 | 7.5465; 7.9565; 22.733 84.375; 89.317; 72.275 | 1293.7 | Shang, Ming; Shao, Qian; Sun, Shang-Zheng; Chen, Yan-Qiao; Xu, Hui; Dai, Hui-Xiong; Yu, Jin-Quan Identification of monodentate oxazoline as a ligand for copper-promoted ortho-C‒H hydroxylation and amination Chem. Sci., 2017, 8, 1469 |
| 1544031 | CIF | C144 H72 Cl3 Hf12 Ir3 N12 O64 | I m -3 m | 38.3207; 38.3207; 38.3207 90; 90; 90 | 56273 | Wang, Yingxia; Cui, Hao; Wei, Zhang-Wen; Wang, Hai-Ping; Zhang, Li; Su, Cheng-Yong Engineering catalytic coordination space in a chemically stable Ir-porphyrin MOF with a confinement effect inverting conventional Si-H insertion chemoselectivity. Chemical science, 2017, 8, 775-780 |
| 1545174 | CIF | C15 H12 B Cl O3 | P 21 21 21 | 13.0121; 5.2339; 19.82 90; 90; 90 | 1349.82 | Hazra, Gurupada; Maity, Sanjay; Bhowmick, Sudipto; Ghorai, Prasanta Organocatalytic, enantioselective synthesis of benzoxaboroles via Wittig/oxa-Michael reaction Cascade of α-formyl boronic acids. Chemical science, 2017, 8, 3026-3030 |
| 1543893 | CIF | C15 H12 N2 O2 S | P 21 21 21 | 4.7941; 15.333; 17.698 90; 90; 90 | 1300.9 | Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling. Chemical science, 2017, 8, 169-173 |
| 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 |
| 1545183 | CIF | C15 H15 Np | C m c 21 | 14.1208; 8.7037; 9.5917 90; 90; 90 | 1178.85 | Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci., 2017, 8, 2553 |
| 1544260 | CIF | C15 H39 Ge K O6 Si3 | P 1 21/n 1 | 8.141; 19.245; 16.727 90; 90.528; 90 | 2620.6 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
| 1544259 | CIF | C15 H39 Ge Na O6 Si3 | P 1 21/c 1 | 15.729; 9.9209; 17.212 90; 90.3515; 90 | 2685.8 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
| 1545516 | CIF | C16 H14 I2 | P 1 21/c 1 | 11.4988; 15.9491; 8.2449 90; 97.906; 90 | 1497.71 | Janhsen, B.; Daniliuc, C. G.; Studer, A. Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems Chem. Sci., 2017, 8, 3547 |
| 1545092 | CIF | C16 H15 Br O2 | C 1 2 1 | 19.2401; 7.48163; 19.9656 90; 104.461; 90 | 2782.94 | Kossler, D.; Cramer, N. Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions Chem. Sci., 2017, 8, 1862 |
| 1545515 | CIF | C16 H16 I2 | P 1 c 1 | 8.4867; 11.5788; 16.5698 90; 92.762; 90 | 1626.35 | Janhsen, B.; Daniliuc, C. G.; Studer, A. Intra- versus intermolecular electron transfer in radical nucleophilic aromatic substitution of dihalo(hetero)arenes ‒ a tool for estimating π-conjugation in aromatic systems Chem. Sci., 2017, 8, 3547 |
| 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 |
| 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 |
| 1544261 | CIF | C16 H39 K O6 Si3 | P 1 21/n 1 | 8.698; 18.417; 16.289 90; 90.2; 90 | 2609 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
| 1544258 | CIF | C16 H39 Li O6 Si3 | C 1 c 1 | 9.531; 17.403; 15.039 90; 90.873; 90 | 2494 | Li, H.; Aquino, A. J. A.; Cordes, D. B.; Hase, W. L.; Krempner, C. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach. Chemical science, 2017, 8, 1316-1328 |
| 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 |
| 1543761 | CIF | C165 H150 Cl19 N10 Ni2 O5 | C 1 2/c 1 | 72.72; 13.4081; 33.152 90; 102.869; 90 | 31512 | Fukui, Norihito; Cha, Wonhee; Shimizu, Daiki; Oh, Juwon; Furukawa, Ko; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro Highly planar diarylamine-fused porphyrins and their remarkably stable radical cations. Chemical science, 2017, 8, 189-199 |
| 1544205 | CIF | C17 H13 N3 O2 | P c a 21 | 13.283; 13.585; 7.6811 90; 90; 90 | 1386.1 | Serra, Jordi; Parella, Teodor; Ribas, Xavi Au(iii)-aryl intermediates in oxidant-free C‒N and C‒O cross-coupling catalysis Chem. Sci., 2017, 8, 946 |
| 1544987 | CIF | C17 H15 Cu N5 O6 S2 | C 1 2/c 1 | 17.889; 12.2339; 20.7705 90; 101.703; 90 | 4451.18 | 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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