Crystallography Open Database

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1573566 CIFC60 H81 B3 N6 OC 1 2/c 122.2498; 13.5031; 37.4373
90; 99.081; 90		11106.7Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon
Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.
Chemical science, 2025, 16, 2231-2237
1573567 CIFC27 H36 B N3 SI 1 2/a 116.90996; 9.55705; 33.35081
90; 94.9584; 90		5369.63Tang, Jianqin; Hu, Chenyang; Crumpton, Agamemnon E.; Griffin, Liam P.; Goicoechea, Jose M.; Aldridge, Simon
Metathesis chemistry of inorganic cumulenes driven by B-O bond formation.
Chemical science, 2025, 16, 2231-2237
1573570 CIFC31 H29 F2 O4 PP -19.6234; 10.4927; 14.0802
99.31; 98.054; 100.619		1357.67Huang, Mao-Gui; Fu, Yue-Liu-Ting; Li, Jia-Wei; Liu, Yue-Jin
Ruthenium-catalyzed three-component tandem remote C-H functionalization of naphthalenes: modular and concise synthesis of multifunctional naphthalenes.
Chemical science, 2025, 16, 1957-1965
1573571 CIFC42 H40 Br4 N12 Ni2 O6P 1 21/c 114.4927; 9.522; 24.7089
90; 137.895; 90		2286.3Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573572 CIFC40 H38 Br4 Cl4 N12 Ni2 O4P 1 21/c 113.4368; 9.1144; 20.483
90; 108.664; 90		2376.6Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573573 CIFC20.57 H18.49 N6.86 O2.39I 1 2/a 113.0278; 14.7154; 34.4476
90; 99.152; 90		6519.86Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573574 CIFC13.82 H12.36 Br0.73 N5.09 Ni0.36 O1.45P 1 21/c 117.1742; 13.6415; 17.8507
90; 103.715; 90		4062.85Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573575 CIFC17 H14 N6 O2P -16.6161; 11.0537; 11.1219
84.188; 74.575; 88.159		780.03Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573576 CIFC11.5 H12.5 N2.5 O2P 1 21/c 19.8012; 8.1826; 27.1202
90; 94.448; 90		2168.47Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573577 CIFC39 H52 N5 Ni O4.5C 1 2/c 133.3183; 9.9346; 21.7721
90; 91.007; 90		7205.54Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573578 CIFC37 H32 Br N5 Ni O3 PP 1 21/n 119.3695; 17.6564; 19.5992
90; 93.297; 90		6691.75Rodriguez-Lugo, Rafael E; Sander, Joan; Dietzmann, Simon; Rittner, Thomas; Rückel, Jannes; Landaeta, Vanessa R.; Park, Jiyong; Nuernberger, Patrick; Baik, Mu-Hyun; Wolf, Robert
Mechanistic insights into the visible-light-driven <i>O</i>-arylation of carboxylic acids catalyzed by xanthine-based nickel complexes.
Chemical science, 2025, 16, 2751-2762
1573584 CIFC24 O13 Zn4F m -3 m25.415; 25.415; 25.415
90; 90; 90		16416.1Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573585 CIFC24 O13 Zn4P m -3 m12.8235; 12.8235; 12.8235
90; 90; 90		2108.7Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573586 CIFC96 O64 Zn16F m -3 m25.6171; 25.6171; 25.6171
90; 90; 90		16810.9Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573587 CIFC96 O64 Zn16F m -3 m25.6455; 25.6455; 25.6455
90; 90; 90		16866.8Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573588 CIFC96 O64 Zn16F m -3 m25.6396; 25.6396; 25.6396
90; 90; 90		16855.2Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573589 CIFC96 O64 Zn16F m -3 m25.6309; 25.6309; 25.6309
90; 90; 90		16838Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573590 CIFC14 N O5 ZnC 1 2/c 113.6279; 16.9199; 19.7799
90; 91.635; 90		4559Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573591 CIFC96 O64 Zn16F m -3 m25.6731; 25.6731; 25.6731
90; 90; 90		16921.3Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573592 CIFC96 O64 Zn16F m -3 m25.6846; 25.6846; 25.6846
90; 90; 90		16944.1Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573593 CIFC96 O64 Zn16F m -3 m25.6483; 25.6483; 25.6483
90; 90; 90		16872.4Kim, Hyunyong; Cohen, Seth M.
Metal-organic frameworks generated from oligomeric ligands with functionalized tethers.
Chemical science, 2025, 16, 2344-2350
1573594 CIFC29 H17 N3 O3P 1 21/c 17.2038; 11.3027; 26.8583
90; 92.223; 90		2185.2Sneddon, Dorian S.; Kevorkian, Paul V.; Hoye, Thomas R.
Rapid (≤25 °C) cycloisomerization of anhydride-tethered triynes to benzynes - origin of a remarkable anhydride linker-induced rate enhancement.
Chemical science, 2025, 16, 2898-2906
1573595 CIFC47 H41 N5 O5P 1 21/n 113.0754; 19.067; 15.68
90; 104.258; 90		3788.7Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan
Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.
Chemical science, 2025, 16, 3459-3469
1573596 CIFC56 H42 N6 O5P -18.418; 12.809; 40.083
91.42; 92.29; 106.79		4131.5Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan
Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.
Chemical science, 2025, 16, 3459-3469
1573597 CIFC44 H36 N4 O3P b c a15.283; 14.723; 30.471
90; 90; 90		6856Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan
Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.
Chemical science, 2025, 16, 3459-3469
1573598 CIFC84 H69 N9 O8P 21 21 2114.434; 15.041; 30.493
90; 90; 90		6620Bae, Sungryul; Jeong, Younjae; Lee, Dongwhan
Mutually antagonistic molecular clips: symmetry-breaking non-covalent bonds at the chiral-nonchiral interface.
Chemical science, 2025, 16, 3459-3469
1573599 CIFC13 H16 I N O2P -15.4287; 8.9764; 13.4695
96.706; 95.087; 90.122		649.26Shiels, Oisin J.; Brydon, Samuel C.; Poad, Berwyck L. J.; Marshall, David L.; Houston, Sevan D.; Xing, Hui; Bernhardt, Paul V.; Savage, G. Paul; Williams, Craig M.; Harman, David G.; Kirk, Benjamin B.; da Silva, Gabriel; Blanksby, Stephen J.; Trevitt, Adam J.
Electrostatically tuning radical addition and atom abstraction reactions with distonic radical ions.
Chemical science, 2025, 16, 2861-2878
1573617 CIFC29 H22 OC 1 2/c 126.9512; 9.4305; 17.329
90; 111.921; 90		4086Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing
A comparative investigation on excimer fluorescence toward its bright future.
Chemical science, 2025, 16, 3275-3284
1573618 CIFC43 H30 OP -19.1255; 17.9972; 18.3091
90.153; 90.817; 94.909		2995.6Wang, Shiyin; Liu, Haichao; Zhao, Shuaiqiang; Wu, Qiaolin; Yang, Zhiqiang; Yang, Daojie; Lv, Yingbo; Su, Qing; Zhang, Shi-Tong; Yang, Bing
A comparative investigation on excimer fluorescence toward its bright future.
Chemical science, 2025, 16, 3275-3284
1573620 CIFC54 H67 Cu K N6 O9P -19.0901; 13.3962; 22.3177
77.196; 86.431; 82.887		2628.01Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam
Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.
Chemical science, 2025, 16, 3114-3123
1573621 CIFC44 H48 Cl Cu N7 O3P -19.6787; 10.7885; 20.4415
96.743; 90.805; 99.865		2087.09Das, Soumadip; Roy, Aritra; Chakrabarti, Navonil; Mukhopadhyay, Narottam; Sarkar, Aniruddha; Sen Gupta, Sayam
Self-sensitized Cu(ii)-complex catalyzed solar driven CO<sub>2</sub> reduction.
Chemical science, 2025, 16, 3114-3123
1573622 CIFC98 H118 F6 N6 O2 S4C 1 2/c 125.2111; 22.7564; 33.5239
90; 108.292; 90		18261.3Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju
Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.
Chemical science, 2025, 16, 3259-3274
1573623 CIFC100 H124 F4 N6 O2 S4P -121.223; 21.3687; 32.1128
91.951; 91.3666; 103.586		14140.1Wang, Yan-Bo; Tsai, Chia-Lin; Xue, Yung-Jing; Jiang, Bing-Huang; Lu, Han-Cheng; Hong, Jun-Cheng; Huang, Yu-Chi; Huang, Kuo-Hsiu; Chien, Su-Ying; Chen, Chih-Ping; Cheng, Yen-Ju
Fluorinated and methylated <i>ortho</i>-benzodipyrrole-based acceptors suppressing charge recombination and minimizing energy loss in organic photovoltaics.
Chemical science, 2025, 16, 3259-3274
1573677 CIFC11 H15 B F2 I N O6C 1 2/c 151.208; 7.1184; 31.56
90; 126.597; 90		9236.1Wu, Hengbo; Luo, Ruitong; Peng, Jingjing; Han, Zijian; Zhang, Renjie; Xu, Zhijian; Zhu, Weiliang; Liu, Hong; Li, Chunpu
B(MIDA)-directed site-selective intermolecular halofluoroalkylation of alkenes: synthesis of diversely functionalized building blocks.
Chemical science, 2025, 16, 2710-2717
1573678 CIFCu10 S13 Te4I -4 3 m10.2609; 10.2609; 10.2609
90; 90; 90		1080.33Zhang, Bo; Zhou, Sheng-Hua; Li, Bing-Xuan; Wu, Xin-Tao; Lin, Hua; Zhu, Qi-Long
Exploring new horizons in mid-to-far infrared nonlinear optical crystals: the significant potential of trigonal pyramidal [TeS<sub>3</sub>]<sup>2-</sup> functional units.
Chemical science, 2025, 16, 3218-3227
1573686 CIFC126 H160 K O6C m c 2126.623; 12.2818; 36.081
90; 90; 90		11797.7Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.
Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.
Chemical science, 2025, 16, 3211-3217
1573687 CIFC186 H270 N6 O25.5 Rb3P -114.192; 23.883; 28.136
88.137; 80.21; 77.124		9161Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.
Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.
Chemical science, 2025, 16, 3211-3217
1573688 CIFC136 H170 O14.5 Rb2I 41/a :227.4995; 27.4995; 70.8136
90; 90; 90		53550.8Zhu, Yikun; Borstelmann, Jan; Neiss, Christian; Wei, Zheng; Görling, Andreas; Kivala, Milan; Petrukhina, Marina A.
Stepwise reduction of an asymmetric π-expanded pyracylene towards the crystalline radical trianion.
Chemical science, 2025, 16, 3211-3217
1573689 CIFC30 H29 B N2 O3P 1 21/n 111.04999; 23.491; 22.4123
90; 100.772; 90		5715.2Qin, Hao-Ni; Jiang, Hao-Wen; Zhao, Yi; Qurban, Saira; Wang, Ke-Chun; Xu, Peng-Fei
Photocatalytic [3 + 2]-annulation <i>via</i> sodium tetraarylborate: a fundamental approach for synthesizing 1,4,2-diazaborole analogs.
Chemical science, 2025, 16, 2837-2842
1573690 CIFC21 H34 I N O5 SiP 21 21 218.9672; 14.2728; 19.4271
90; 90; 90		2486.42Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1573691 CIFC24 H26 N2 O4P 1 21 111.95; 6.4623; 13.674
90; 103.465; 90		1026.9Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1573692 CIFC24 H45 N O5 Si2P 1 21 16.8112; 9.0531; 23.2935
90; 95.8682; 90		1428.81Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1573693 CIFC23 H35 I N O5 SiP 21 21 28.5047; 46.069; 6.8117
90; 90; 90		2668.8Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1573694 CIFC36 H50 N2 O12P 1 21 117.7153; 5.8663; 18.0482
90; 99.613; 90		1849.3Seo, Seung Mo; Kim, Dongwook; Kim, Taewan; Han, Sunkyu
Total synthesis of (-)-flueggenine A and (-)-15'-<i>epi</i>-flueggenine D.
Chemical science, 2025, 16, 1216-1221
1573695 CIFC7 H9 Br2 N7 O ZnI -4 3 m16.77164; 16.77164; 16.77164
90; 90; 90		4717.66Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming
Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation.
Chemical science, 2025, 16, 3307-3312
1573696 CIFC10.96 H8.96 Br2 N6 ZnI -4 3 m16.7719; 16.7719; 16.7719
90; 90; 90		4717.88Liang, Zi-Jun; Dong, Fang-Di; Ye, Le; Zheng, Kai; Hu, Ding-Yi; Feng, Xi; Su, Wen-Yu; Wang, Zhi-Shuo; Zhou, Mu-Yang; Fang, Zi-Luo; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming
Introducing halogen-bonded gates into zeolitic frameworks for efficient benzene/cyclohexene/cyclohexane separation.
Chemical science, 2025, 16, 3307-3312
1573697 CIFO7 S Te TiP 1 21 14.9516; 7.6029; 7.1865
90; 105.062; 90		261.25Li, Zhenhua; Liang, Zhengli; Wan, Jiahao; Liu, Lehui; Wu, Chunxiang; Wang, Ping; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming
Different p-block elements induce C<sub>3</sub>[111] octahedral distortion in titanium to generate an intense nonlinear effect.
Chemical science, 2025, 16, 3329-3335
1573703 CIFC72 H54 F3 N5 O4 S2P -111.823; 13.6657; 23.0648
100.582; 94.663; 108.17		3442.01Liu, Junxiang; Wang, Kangmin; Wan, Liqiu; Yang, Xianhui; Li, Bijin
Ruthenium-catalyzed C-H bond activation and annulation of phenothiazine-3-carbaldehydes: facile access to dual-emission materials.
Chemical science, 2025, 16, 3107-3113
1573704 CIFC21 H20 F3 N ZrP 1 21/n 18.1766; 15.5546; 14.6671
90; 99.429; 90		1840.21Bonfante, Sara; Tanner, Theo F. N.; Lorber, Christian; Lynam, Jason M.; Simonneau, Antoine; Slattery, John M.
Zirconium-mediated carbon-fluorine bond functionalisation through cyclohexyne "umpolung".
Chemical science, 2025, 16, 3552-3559
1573706 CIFC15 H15 N3 O SP 1 21/n 19.889; 23.89; 12.335
90; 98.52; 90		2882Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian
Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.
Chemical science, 2025, 16, 3130-3140
1573707 CIFC14 H13 N3 SP -15.9879; 10.235; 11.312
66.744; 82.452; 86.562		631.4Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian
Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.
Chemical science, 2025, 16, 3130-3140
1573708 CIFC14 H11 Cl2 N3 SP -17.866; 8.231; 11.963
92.336; 96.812; 111.933		710.4Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian
Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.
Chemical science, 2025, 16, 3130-3140
1573709 CIFC14 H14 N4 O SP 21 21 216.643; 7.435; 28.49
90; 90; 90		1407Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian
Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.
Chemical science, 2025, 16, 3130-3140
1573710 CIFC12 H11 N3 S2P -15.689; 10.012; 11.393
71.163; 82.543; 87.953		609Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian
Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.
Chemical science, 2025, 16, 3130-3140
1573711 CIFC12 H11 N3 O SP -15.823; 9.744; 11.011
70.013; 83.399; 88.167		583.2Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian
Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.
Chemical science, 2025, 16, 3130-3140
1573712 CIFC14 H8 F5 N3 SC 1 2/c 128.98; 6.951; 14.974
90; 110.329; 90		2828.5Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian
Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.
Chemical science, 2025, 16, 3130-3140
1573713 CIFC27 H19 F3 O2 SiP -18.589; 9.902; 14.679
106.882; 94.204; 111.756		1086.3Matsuo, Tomotoki; Sano, Masaki; Sumida, Yuto; Ohmiya, Hirohisa
Organic photoredox-catalyzed unimolecular PCET of benzylic alcohols.
Chemical science, 2025, 16, 3150-3156
1573725 CIFC29 H17 NP 1 21/n 110.4701; 8.8984; 19.622
90; 99.531; 90		1802.89Maekawa, Takehisa; Itami, Kenichiro
Rapid access to functionalized nanographenes through a palladium-catalyzed multi-annulation sequence.
Chemical science, 2025, 16, 3092-3098
1573732 CIFC79 H80 B5 F24 N5 O2 SnP -115.245; 17.2704; 17.6243
92.495; 102.397; 112.807		4136.1Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi
CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.
Chemical science, 2025, 16, 4014-4022
1573733 CIFC70.01 H61 B F24 N4 SnP -113.4232; 17.0569; 18.5469
102.535; 101.839; 109.969		3711.1Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi
CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.
Chemical science, 2025, 16, 4014-4022
1573734 CIFC72 H61 B F24 N4 O4 SnP -110.4739; 16.089; 23.3384
109.831; 92.107; 102.86		3579.7Niu, Dechuang; Kostenko, Arseni; Kelly, John A.; Sarkar, Debotra; Xu, Huihui; Inoue, Shigeyoshi
CO<sub>2</sub> hydrosilylation catalyzed by an N-heterocyclic carbene (NHC)-stabilized stannyliumylidene.
Chemical science, 2025, 16, 4014-4022
1573735 CIFC70 H86 Cl2 Cu6 F9 N7 O7 S4P n m a36.1356; 16.4719; 28.0985
90; 90; 90		16724.8Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi
Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.
Chemical science, 2025, 16, 2600-2608
1573736 CIFC124 H178.5 Cu6 N18.5 O10.5 S4P a -330.937; 30.937; 30.937
90; 90; 90		29609.7Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi
Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.
Chemical science, 2025, 16, 2600-2608
1573737 CIFC82 H99 Cu7 F9 N15 O15 S4C 1 2/c 140.186; 17.9336; 43.303
90; 108.171; 90		29651Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi
Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.
Chemical science, 2025, 16, 2600-2608
1573738 CIFC3.21 H3.97 Cl0.49 Cu0.48 F0.57 N0.19 O0.38 S0.29P -113.4577; 13.9427; 13.9994
82.041; 82.058; 75.543		2504.4Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi
Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.
Chemical science, 2025, 16, 2600-2608
1573739 CIFC42.5 H48 Cl5 Cu6 F3 N4 O2 S8I m m a24.6205; 17.0084; 22.4482
90; 90; 90		9400.3Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi
Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.
Chemical science, 2025, 16, 2600-2608
1573740 CIFC27 H37 Cl2 Cu5 F6 N4 O4 S3P 1 21/c 113.9234; 11.9576; 23.9446
90; 91.901; 90		3984.4Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi
Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.
Chemical science, 2025, 16, 2600-2608
1573741 CIFC2.8 H3.28 Cl0.16 Cu0.4 F0.48 N0.16 O0.32 S0.4P 1 21/c 120.5359; 15.906; 18.1932
90; 102.802; 90		5795Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi
Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.
Chemical science, 2025, 16, 2600-2608
1573742 CIFC50 H42 B2 N2 O2C 1 2/c 117.9182; 19.9055; 13.5411
90; 127.513; 90		3831Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo
A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046.
Chemical science, 2025, 16, 3655-3661
1573743 CIFC68 H62 B2 N2 O2P -116.4777; 19.3715; 19.7104
82.656; 89.376; 77.021		6079.5Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo
A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046.
Chemical science, 2025, 16, 3655-3661
1573744 CIFC312 H372 N36 O42 S24 Ti12P -120.926; 20.984; 21.932
64.82; 76.693; 77.002		8393Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao
Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction
Chemical Science, 2025, 16, 6845-6852
1573745 CIFC82 H90.68 Ag2 N O11 S8 Ti2I 1 2/m 116.0181; 18.7809; 30.2892
90; 92.8776; 90		9100.5Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao
Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction
Chemical Science, 2025, 16, 6845-6852
1573746 CIFC265.64 H306.46 Ag4.51 N12.82 O42.76 S24 Ti12P 1 21/n 121.329; 34.611; 23.413
90; 116.73; 90		15437Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao
Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction
Chemical Science, 2025, 16, 6845-6852
1573747 CIFC200 H221.72 Na O36 S20 Ti8P 1 21/c 133.1669; 21.7916; 35.921
90; 91.759; 90		25950Meng, Ru-Xin; Zhao, Lan-Cheng; Luo, Li-Pan; Tian, Yi-Qi; Shao, Yong-Liang; Tang, Qing; Wang, Likai; Yan, Jun; Liu, Chao
Atomic-level engineering of single Ag1+ site distribution on titanium–oxo cluster surfaces to boost CO2 electroreduction
Chemical Science, 2025, 16, 6845-6852
1573748 CIFC2.95 H5.9 In0.1 N0.29 O0.38P -111.919; 12.4961; 13.0349
61.504; 89.234; 89.801		1706.07Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew
Metal-ligand cooperativity enables zero-valent metal transfer.
Chemical science, 2025, 16, 3888-3894
1573749 CIFC31 H62 Al N3 O4P -111.7623; 12.4407; 12.9344
118.532; 91.442; 90.128		1662.09Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew
Metal-ligand cooperativity enables zero-valent metal transfer.
Chemical science, 2025, 16, 3888-3894
1573750 CIFC31 H62 Ga N3 O4P -111.7627; 12.4302; 12.9451
118.425; 91.211; 90.139		1664.01Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew
Metal-ligand cooperativity enables zero-valent metal transfer.
Chemical science, 2025, 16, 3888-3894
1573751 CIFC18 H36 In2 N2 O2C m c e12.4969; 9.4605; 18.0744
90; 90; 90		2136.9Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew
Metal-ligand cooperativity enables zero-valent metal transfer.
Chemical science, 2025, 16, 3888-3894
1573752 CIFC27 H56 Ga N3 O3P 1 21/n 112.0657; 12.8632; 19.2485
90; 94.979; 90		2976.2Riu, Martin-Louis Y; Shan, Jing-Ran; Houk, K. N.; Nava, Matthew
Metal-ligand cooperativity enables zero-valent metal transfer.
Chemical science, 2025, 16, 3888-3894
1573755 CIFC27 H31 N O2P 1 21/n 112.5383; 9.5231; 18.69
90; 97.104; 90		2214.52Meng, Huan; Jia, Jun-Song; Yang, Peng-Fei; Li, Yu-Long; Yu, Qiong; Shu, Wei
Ni-catalyzed regioselective and site-divergent reductive arylalkylations of allylic amines.
Chemical science, 2025, 16, 4442-4449
1573756 CIFC27 H28 N2 OC 1 c 113.8063; 17.9373; 9.9554
90; 113.319; 90		2264.04Meng, Huan; Jia, Jun-Song; Yang, Peng-Fei; Li, Yu-Long; Yu, Qiong; Shu, Wei
Ni-catalyzed regioselective and site-divergent reductive arylalkylations of allylic amines.
Chemical science, 2025, 16, 4442-4449
1573757 CIFC3 H10 I3 N O PbP 21 21 214.5931; 11.6051; 22.0202
90; 90; 90		1173.75Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin
Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity.
Chemical science, 2025, 16, 4057-4065
1573758 CIFC3 H10 I3 N O PbP 21 21 214.5899; 11.5987; 22.0076
90; 90; 90		1171.62Li, Hongxu; Cao, Rui; Tao, Min; Jiang, Jiawei; Xiao, Yin
Chiral perovskites with a unique 1D chain structure: impact of chiral ligand geometry on local inversion asymmetry and chiral-induced spin selectivity.
Chemical science, 2025, 16, 4057-4065
1573759 CIFC21 H22 N2 O3 SP 1 21/c 19.0752; 20.3258; 11.2289
90; 111.107; 90		1932.33Lai, Ze-Min; Xie, Ying; Huang, Le-Le; Guo, Jing; Lu, Gui
Catalytic enantioselective synthesis of α-C chiral sulfones enabled by merging photoactive electron donor-acceptor complexes with nickel catalysis.
Chemical science, 2025, 16, 4352-4359
1573760 CIFC24 H25 I N2 OP -18.6576; 11.4823; 11.8769
70.882; 79.329; 82.137		1092.57Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.
Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.
Chemical science, 2025, 16, 3938-3945
1573761 CIFC28 H28 N2 O2P 1 21/c 18.3156; 15.8552; 17.6204
90; 101.442; 90		2277Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.
Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.
Chemical science, 2025, 16, 3938-3945
1573762 CIFC30 H30 N2 OP 1 21/c 111.85289; 23.3855; 8.96547
90; 104.164; 90		2409.55Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.
Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.
Chemical science, 2025, 16, 3938-3945
1573763 CIFC29 H36 N2 OP 1 21 18.7877; 13.2804; 10.4903
90; 93.628; 90		1221.81Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.
Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.
Chemical science, 2025, 16, 3938-3945
1573764 CIFC25 H28 N2 OP -19.0247; 13.2322; 18.6064
100.728; 100.909; 105.883		2030.78Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.
Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.
Chemical science, 2025, 16, 3938-3945
1573765 CIFC30 H30 N2 OP -19.0232; 10.8445; 12.5529
95.795; 99.084; 96.98		1194.85Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.
Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.
Chemical science, 2025, 16, 3938-3945
1573766 CIFC20 H24 B10 OP -110.5221; 12.1599; 18.0206
73.817; 78.768; 78.192		2144.08Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Chemical science, 2025, 16, 3705-3712
1573767 CIFC26 H24 B10P -110.8412; 19.4475; 23.3896
75.392; 80.868; 87.318		4711.3Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Chemical science, 2025, 16, 3705-3712
1573768 CIFC14 H18 B10P 1 21/c 19.9506; 13.287; 12.6971
90; 101.393; 90		1645.65Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Chemical science, 2025, 16, 3705-3712
1573769 CIFC13 H18 B10 OP 1 21/n 17.1385; 22.1234; 10.2306
90; 95.391; 90		1608.6Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Chemical science, 2025, 16, 3705-3712
1573770 CIFC14 H18 B10P 1 21/c 111.0634; 14.0548; 20.6273
90; 92.773; 90		3203.66Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Chemical science, 2025, 16, 3705-3712
1573771 CIFC19 H20 B10C 1 2/c 124.0114; 8.3879; 19.3844
90; 99.3; 90		3852.8Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Chemical science, 2025, 16, 3705-3712
1573772 CIFC18 H28 B10 SiP 1 21/n 110.7343; 15.469; 13.0999
90; 94.563; 90		2168.33Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Chemical science, 2025, 16, 3705-3712
1573773 CIFC21 H24 B10P b c a17.6926; 7.5803; 31.0434
90; 90; 90		4163.39Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Chemical science, 2025, 16, 3705-3712
1573774 CIFC26 H28 B10 OP 21 21 2110.1324; 15.565; 16.148
90; 90; 90		2546.71Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Chemical science, 2025, 16, 3705-3712
1573775 CIFC22 H20 B10P 1 21 17.4914; 17.9215; 16.097
90; 90.673; 90		2160.99Wang, Zhen; Yu, Jiahui; Zhang, Jie; Zhang, Dengsong; Qiu, Zaozao; Xie, Zuowei
Palladium-catalyzed intramolecular aerobic oxidative cross-coupling of BH/CH between <i>o</i>-carborane and arenes.
Chemical science, 2025, 16, 3705-3712

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