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 |
|---|---|---|---|---|---|---|
| 1570388 | CIF | C31 H48 Cl P Pd | P -1 | 12.1765; 14.8521; 16.3152 86.928; 74.898; 77.45 | 2780.6 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570389 | CIF | C21 H45 Br N O P Pd | C 1 2/c 1 | 31.4611; 8.1772; 23.0772 90; 124.577; 90 | 4888.3 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570390 | CIF | C21 H45 Cl N O P Pd | P 1 21/c 1 | 14.7317; 12.1009; 14.8868 90; 115.664; 90 | 2392.03 | Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P. Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes. Chemical science, 2023, 14, 14217-14228 |
| 1570391 | CIF | C19 H16 Br3 P | C 1 2/c 1 | 17.7546; 15.532; 28.3321 90; 99.228; 90 | 7711.9 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570392 | CIF | C20 H19 Br3 N O2 P | R -3 :H | 32.27; 32.27; 11.323 90; 90; 120 | 10211.5 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570393 | CIF | C21 H19 Br3 N P | R -3 :H | 33.1499; 33.1499; 11.1629 90; 90; 120 | 10623.6 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570394 | CIF | C21 H20 Br3 O2 P | R -3 :H | 32.4936; 32.4936; 11.3322 90; 90; 120 | 10361.9 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570395 | CIF | C23 H24 Br3 O P | R -3 :H | 33.4263; 33.4263; 11.2099 90; 90; 120 | 10847 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570396 | CIF | C22 H20 Br3 O2 P | R -3 :H | 32.283; 32.283; 11.5522 90; 90; 120 | 10426.6 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570397 | CIF | C24 H25 Br3 N O P | R -3 :H | 33.612; 33.612; 11.4292 90; 90; 120 | 11182.4 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570398 | CIF | C21 H22 Br3 O P S | R -3 :H | 33.4643; 33.4643; 11.1613 90; 90; 120 | 10824.5 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570399 | CIF | C22 H23 Br3 N O P | R -3 :H | 33.1823; 33.1823; 11.4506 90; 90; 120 | 10918.7 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570400 | CIF | C23 H25 Br3 N O P | R -3 :H | 33.0726; 33.0726; 11.369 90; 90; 120 | 10769.4 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570401 | CIF | C22 H22 Br3 O0.75 P | R -3 :H | 33.144; 33.144; 11.465 90; 90; 120 | 10907.2 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570402 | CIF | C22 H22 Br3 O P | R -3 :H | 33.0003; 33.0003; 11.135 90; 90; 120 | 10501.6 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570403 | CIF | C20 H19 I3 N O2 P | R -3 :H | 32.9862; 32.9862; 12.0449 90; 90; 120 | 11350.1 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570404 | CIF | C42 H41 Br6 O P2 | R -3 :H | 32.8602; 32.8602; 11.266 90; 90; 120 | 10535.2 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570405 | CIF | C21 H20 Br3 O P | R -3 :H | 32.8339; 32.8339; 11.1368 90; 90; 120 | 10397.7 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570406 | CIF | C19 H17 I2 P | P c a 21 | 14.8074; 12.4892; 20.5366 90; 90; 90 | 3797.89 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570407 | CIF | C19 H16 Cl3 P | P n m a | 12.2883; 12.5399; 12.1077 90; 90; 90 | 1865.72 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570408 | CIF | C23 H22 Br3 O P | R -3 :H | 33.2157; 33.2157; 11.3174 90; 90; 120 | 10813.4 | Marrett, Joseph M.; Titi, Hatem M.; Teoh, Yong; Friščić, Tomislav Supramolecular "baking powder": a hexameric halogen-bonded phosphonium salt cage encapsulates and functionalises small-molecule carbonyl compounds. Chemical science, 2023, 15, 298-306 |
| 1570409 | CIF | C40 H20 Cl4 O7 S8 | P 21 21 2 | 17.9065; 15.4002; 7.3943 90; 90; 90 | 2039.08 | Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components. Chemical science, 2024, 15, 1692-1699 |
| 1570410 | CIF | C24 H4 Cl4 N0.25 O6 | P 1 21/n 1 | 13.343; 10.807; 14.322 90; 111.45; 90 | 1922 | Li, Tao; Liu, Jia-Chuan; Liu, En-Ping; Liu, Bai-Tong; Wang, Jing-Yu; Liao, Pei-Yu; Jia, Jian-Hua; Feng, Yuanning; Tong, Ming-Liang NIR-II photothermal conversion and imaging based on a cocrystal containing twisted components. Chemical science, 2024, 15, 1692-1699 |
| 1570412 | CIF | C52 H40 N4 O2 | P -1 | 10.0726; 14.3581; 15.3628 109.639; 95.666; 108.274 | 1934.6 | Sudhakar, Pagidi; Gupta, Abhishek Kumar; Cordes, David B.; Zysman-Colman, Eli Thermally activated delayed fluorescence emitters showing wide-range near-infrared piezochromism and their use in deep-red OLEDs. Chemical science, 2024, 15, 545-554 |
| 1570413 | CIF | C64 H64 N4 O2 | P -1 | 5.9658; 17.8685; 25.1599 76.932; 86.233; 86.248 | 2603.41 | Sudhakar, Pagidi; Gupta, Abhishek Kumar; Cordes, David B.; Zysman-Colman, Eli Thermally activated delayed fluorescence emitters showing wide-range near-infrared piezochromism and their use in deep-red OLEDs. Chemical science, 2024, 15, 545-554 |
| 1570414 | CIF | C33 H22 F7 N3 O2 | C 2 2 21 | 7.1815; 17.3109; 46.2197 90; 90; 90 | 5746 | Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao Selective chiral dimerization and folding driven by arene-perfluoroarene force. Chemical science, 2024, 15, 618-628 |
| 1570415 | CIF | C33 H22 F7 N3 O2 | P -1 | 8.3043; 8.691; 20.6746 80.978; 81.965; 67.556 | 1356.82 | Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao Selective chiral dimerization and folding driven by arene-perfluoroarene force. Chemical science, 2024, 15, 618-628 |
| 1570416 | CIF | C79 H64 F14 N6 O4 | P 1 21 1 | 17.8394; 8.2183; 22.8962 90; 102.884; 90 | 3272.29 | Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao Selective chiral dimerization and folding driven by arene-perfluoroarene force. Chemical science, 2024, 15, 618-628 |
| 1570417 | CIF | C73 H57 Cl3 F14 N6 O4 | P 1 2/c 1 | 22.8294; 9.4458; 31.1842 90; 90.301; 90 | 6724.53 | Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao Selective chiral dimerization and folding driven by arene-perfluoroarene force. Chemical science, 2024, 15, 618-628 |
| 1570418 | CIF | C61 H80 O13 | P 1 21 1 | 8.6927; 29.467; 11.3135 90; 112.393; 90 | 2679.4 | He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science, 2024, 15, 1260-1270 |
| 1570419 | CIF | C30 H34 O4 | P 21 21 21 | 8.7346; 9.9202; 28.6562 90; 90; 90 | 2483.03 | He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science, 2024, 15, 1260-1270 |
| 1570420 | CIF | C30 H38 O4 | P 21 21 21 | 8.8971; 15.2326; 18.8392 90; 90; 90 | 2553.2 | He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science, 2024, 15, 1260-1270 |
| 1570421 | CIF | C30 H40 O5 | P 21 21 21 | 8.7065; 13.1797; 22.9727 90; 90; 90 | 2636.1 | He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science, 2024, 15, 1260-1270 |
| 1570422 | CIF | C30 H40 O4 | P 21 21 21 | 8.6842; 15.4286; 19.2929 90; 90; 90 | 2584.96 | He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science, 2024, 15, 1260-1270 |
| 1570423 | CIF | C30 H34 O4 | P 21 21 21 | 8.733; 9.9169; 28.6719 90; 90; 90 | 2483.1 | He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science, 2024, 15, 1260-1270 |
| 1570424 | CIF | C15 H22 O | P 21 21 21 | 8.2056; 9.4771; 16.4429 90; 90; 90 | 1278.69 | He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science, 2024, 15, 1260-1270 |
| 1570425 | CIF | C15 H22 O | P 21 21 21 | 8.2085; 9.4732; 16.4463 90; 90; 90 | 1278.88 | He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers. Chemical science, 2024, 15, 1260-1270 |
| 1570426 | CIF | C107 H138 N6 O3 P | P -1 | 15.9708; 16.8532; 19.6348 98.989; 107.266; 97.797 | 4891 | Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H. A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting. Chemical science, 2023, 15, 389-398 |
| 1570427 | CIF | C89 H109 N6 O3 P | P -1 | 16.3782; 16.4347; 18.8864 111.457; 112.34; 97.462 | 4157.2 | Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H. A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting. Chemical science, 2023, 15, 389-398 |
| 1570428 | CIF | C93 H115 N8 O3 P | P -1 | 16.3882; 16.4992; 19.1849 111.893; 111.74; 97.594 | 4245.5 | Chen, Yusheng; Kuvayskaya, Anastasia; Pink, Maren; Sellinger, Alan; Flood, Amar H. A library of vinyl phosphonate anions dimerize with cyanostars, form supramolecular polymers and undergo statistical sorting. Chemical science, 2023, 15, 389-398 |
| 1570429 | CIF | C32 H27 F N2 O2 | C 1 2/c 1 | 31.691; 6.6329; 25.7816 90; 112.057; 90 | 5022.74 | Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light. Chemical science, 2023, 15, 271-277 |
| 1570430 | CIF | C30 H23 F5 N2 O | P 1 21/c 1 | 10.5292; 12.5977; 20.0573 90; 103.635; 90 | 2585.49 | Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light. Chemical science, 2023, 15, 271-277 |
| 1570431 | CIF | C33 H30.13 N2 O2 | P 1 | 6.8195; 19.5313; 20.5319 96.793; 95.64; 99.888 | 2655.5 | Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light. Chemical science, 2023, 15, 271-277 |
| 1570454 | CIF | C184 H210 O39 Ti8 | C 1 2/c 1 | 39.32; 32.41; 37.78 90; 115.25; 90 | 43545 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570455 | CIF | C96 H118 Cl O16 Ti4 | I 4 2 2 | 38.021; 38.021; 19.702 90; 90; 90 | 28481 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570456 | CIF | C756 H896 Br8 O148 Ti32 | C 1 2/c 1 | 39.278; 32.838; 37.8 90; 115.147; 90 | 44134 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570457 | CIF | C376 H454 N8 Na4 O84 Ti16 | C 1 2/c 1 | 39.187; 33.088; 37.42 90; 115.189; 90 | 43906 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570458 | CIF | C360 H432 O74.81 Ti16 | C 1 2/c 1 | 38.634; 32.619; 37.291 90; 114.837; 90 | 42648 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570459 | CIF | C382 H479 N3 O80 Ti16 | C 1 2/c 1 | 37.993; 33.265; 37.218 90; 113.35; 90 | 43185 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
| 1570460 | CIF | C364 H502 Na4 O113 Ti16 | C 1 2/c 1 | 37.982; 33.195; 36.904 90; 113.349; 90 | 42719 | Tian, Yi-Qi; Dai, Lin-Fang; Mu, Wen-Lei; Yu, Wei-Dong; Yan, Jun; Liu, Chao Atomically accurate site-specific ligand tailoring of highly acid- and alkali-resistant Ti(iv)-based metallamacrocycle for enhanced CO<sub>2</sub> photoreduction. Chemical science, 2023, 14, 14280-14289 |
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