Crystallography Open Database

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Searching journal of publication like 'Chemical science' volume of publication is 17

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1576198 CIFC48 H44 N6 O6 Pd S2C 1 2/c 138.9049; 5.6739; 24.1051
90; 126.913; 90
4254.4Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.
Hangman dipyrrin complexes.
Chemical science, 2026, 17, 602-616
1576199 CIFC28 H25 N3 O4 PdP 1 21/n 17.0141; 17.2303; 20.2314
90; 97.876; 90
2422Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.
Hangman dipyrrin complexes.
Chemical science, 2026, 17, 602-616
1576200 CIFC46 H36 N6 O4 ZnI 41/a :221.7492; 21.7492; 15.5858
90; 90; 90
7372.5Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.
Hangman dipyrrin complexes.
Chemical science, 2026, 17, 602-616
1576201 CIFC69 H54 Co N9 O6P a -323.5997; 23.5997; 23.5997
90; 90; 90
13143.8Schomberg-Sanchez, Isaac S; Robinson, William C.; Sanderson, Makayla E.; Mosquera, Martín A; Lemon, Christopher M.
Hangman dipyrrin complexes.
Chemical science, 2026, 17, 602-616
1576202 CIFC47 H72 Cs F N O8 PP 1 21/n 19.9121; 23.2605; 21.4065
90; 93.563; 90
4926Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.
Chemical science, 2026, 17, 579-584
1576203 CIFC43 H52 N O2 PP -112.0403; 12.4082; 14.2936
102.973; 98.828; 106.389
1941.96Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.
Chemical science, 2026, 17, 579-584
1576204 CIFC72 H90 N2 O4 P2P 1 21/c 112.6836; 44.721; 11.8935
90; 98.973; 90
6663.7Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.
Chemical science, 2026, 17, 579-584
1576205 CIFC52 H83 K N O8 PP -19.2969; 15.9116; 18.7341
79.756; 79.904; 79.803
2654.3Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.
Chemical science, 2026, 17, 579-584
1576206 CIFC56 H89 K N O10 PP 1 21/c 114.5374; 21.5756; 19.1473
90; 96.87; 90
5962.5Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.
Chemical science, 2026, 17, 579-584
1576207 CIFC41.25 H51.75 F0.75 N O2 PP 1 21/n 110.5896; 15.6048; 22.7972
90; 90.184; 90
3767.2Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.
Chemical science, 2026, 17, 579-584
1576208 CIFC78 H95 F N2 O4 P2P -114.5273; 16.7003; 17.1757
118.647; 101.045; 96.322
3489.12Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.
Chemical science, 2026, 17, 579-584
1576209 CIFC86 H128 Li4 N4 O7 P2P 1 21/c 112.2271; 19.3733; 19.2094
90; 96.632; 90
4519.9Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
Photochemical activation of pincer-ligated phosphoranides: mechanistic insight for reduction of aryl halides.
Chemical science, 2026, 17, 579-584
1576226 CIFC16 H14 F4 N O2 PC 1 2/c 117.9924; 11.0902; 15.8252
90; 100.242; 90
3107.43Pan, Ailin; Rotella, Madeline E.; Meng, Yamiao; Tian, Xun; Duan, Shengzu; Jiang, Yonggang; Deng, Guogang; Limburg, Bart; Zhang, Hongbin; Kozlowski, Marisa C.; Walsh, Patrick J.; Yang, Xiaodong
1,2-Hydrogen atom transfer of aminyl radicals under photoredox catalysis for the synthesis of α-amino phosphine oxides.
Chemical science, 2026, 17, 412-420
1576233 CIFC55 H12 Ag B2 F36 NP -111.4773; 15.0019; 17.379
111.95; 96.586; 109.074
2525.49Berg, Willi R.; Moshtaha, Amina L.; Sievers, Robin; Reimann, Marc; Streit, Tim-Niclas; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz
A facile route to 'naked' Ag<sup>+</sup> ions enabling the coordination of the weak Lewis base Ni(CO)<sub>4</sub>.
Chemical science, 2026, 17, 406-411
1576234 CIFC43.7 H6.2 Ag B2 Cl6.2 F30 N Ni0.9 O3.6P 1 21/c 113.288; 28.0807; 13.7219
90; 91.614; 90
5118.1Berg, Willi R.; Moshtaha, Amina L.; Sievers, Robin; Reimann, Marc; Streit, Tim-Niclas; Rupf, Susanne M.; Kaupp, Martin; Malischewski, Moritz
A facile route to 'naked' Ag<sup>+</sup> ions enabling the coordination of the weak Lewis base Ni(CO)<sub>4</sub>.
Chemical science, 2026, 17, 406-411
1576434 CIFC8 H9 N O6 ZnP 1 21/c 19.5078; 6.4427; 14.9087
90; 95.172; 90
909.53Zhang, Tongtong; Wang, Xiangyu; Wright, Jack D.; Whitehead, George F. S.; Tidey, Jeremiah P.; Wong, Lu Shin; Riddell, Imogen A.
Enhanced stability and reusability of recombinant silicatein upon biomimetic metal-organic framework crystallization.
Chemical science, 2026, 17, 3141-3147
1576438 CIFC10.5 H12.5 S0.5 Si0.5P -18.3908; 8.8613; 13.4687
97.962; 99.148; 90.96
978.4Isogai, Ryosuke; Yasui, Kosuke; Fukazawa, Aiko
Modular synthesis of benzothiophene-fused pentalenes reveals substituent-dependent antiaromaticity.
Chemical science, 2026, 17, 3005-3011
1576469 CIFC64 H72 N4 O18 S4P 1 21/c 121.9582; 15.4314; 20.0065
90; 109.032; 90
6408.5Alarcon-Miranda, Carlos; Middleton, Isis A.; Rusli, Olivia; Caceres-Herrera, Nicolas; Bhadbhade, Mohan; Rijs, Nicole J.; Thordarson, Pall; Kogan, Marcelo J.; Saitz, Claudio
<i>N</i>-Arylsulfonamidocalix[4]arenes with narrow pH-responsive binding near neutral pH.
Chemical science, 2026, 17, 3293-3299
1576470 CIFC68.75 H67 F12 N4 Na5 O24.75 S8I 1 2/c 120.84; 19.926; 22.459
90; 99.284; 90
9204Alarcon-Miranda, Carlos; Middleton, Isis A.; Rusli, Olivia; Caceres-Herrera, Nicolas; Bhadbhade, Mohan; Rijs, Nicole J.; Thordarson, Pall; Kogan, Marcelo J.; Saitz, Claudio
<i>N</i>-Arylsulfonamidocalix[4]arenes with narrow pH-responsive binding near neutral pH.
Chemical science, 2026, 17, 3293-3299
1576471 CIFC28.5 H29 B3 Cl N2 Os P Se2P -111.117; 15.9224; 17.8651
78.036; 81.905; 84.906
3056.97Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal
Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.
Chemical science, 2026, 17, 3129-3140
1576472 CIFC48 H47 B2 N Os P2 Se2P 1 21/n 111.0801; 11.7542; 34.23
90; 90.696; 90
4457.7Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal
Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.
Chemical science, 2026, 17, 3129-3140
1576473 CIFC28 H23 Cl N2 Os P Se2P 1 21/n 112.1253; 18.0329; 12.381
90; 91.515; 90
2706.2Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal
Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.
Chemical science, 2026, 17, 3129-3140
1576474 CIFC10 H21 B7 N2 Os Se2P 1 21/c 112.7281; 9.4036; 15.1331
90; 101.48; 90
1775.04Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal
Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.
Chemical science, 2026, 17, 3129-3140
1576475 CIFC46 H38 N2 Os P2 Se2P 1 21/c 119.9615; 17.6882; 11.2486
90; 95.367; 90
3954.3Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal
Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.
Chemical science, 2026, 17, 3129-3140
1576476 CIFC41 H34 Cl2 N Os P2 SeP 1 21/n 19.5636; 15.361; 25.2268
90; 100.93; 90
3638.8Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal
Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.
Chemical science, 2026, 17, 3129-3140
1576477 CIFC28 H33 B4 N2 Os P Se2P n a 2115.3411; 9.6807; 20.0705
90; 90; 90
2980.72Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal
Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.
Chemical science, 2026, 17, 3129-3140
1576478 CIFC51 H39 B2 F12 N2 Os P Se3P 1 21/n 110.8616; 30.8022; 14.9297
90; 97.324; 90
4954.1Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal
Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.
Chemical science, 2026, 17, 3129-3140
1576479 CIFC69.5 H49 B F12 N2 Os P2 S4P -120.9226; 24.4708; 24.7349
73.662; 84.215; 87.098
12087.5Assanar, Faneesha; Gayen, Sourav; Patel, Deepak Kumar; Pradeep, Thalappil; Ghosh, Sundargopal
Cooperative borane activation by tuning hemilability of different Os-κ<sup>2</sup>-<i>N</i>,<i>Se</i>-chelated complexes.
Chemical science, 2026, 17, 3129-3140
1576480 CIFC11 H10 F N O3 SP 21 21 215.8549; 10.5165; 18.8417
90; 90; 90
1160.14Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya
Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.
Chemical science, 2026, 17, 3313-3319
1576481 CIFC11 H11 F I N O3 SP -17.3211; 8.0126; 11.5027
81.753; 75.228; 78.644
636.584Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya
Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.
Chemical science, 2026, 17, 3313-3319
1576482 CIFC10 H8 F N O3 SP 1 21 17.4669; 7.9789; 9.334
90; 109.895; 90
522.91Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya
Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.
Chemical science, 2026, 17, 3313-3319
1576483 CIFC5 H7 F I N O3 SC 1 2/c 114.3378; 5.8654; 21.9011
90; 105.905; 90
1771.31Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya
Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.
Chemical science, 2026, 17, 3313-3319
1576484 CIFC20 H18 F2 I2 N2 O6 S2P -17.6473; 7.7662; 10.9617
74.713; 77.55; 77.289
603.94Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya
Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.
Chemical science, 2026, 17, 3313-3319
1576485 CIFC22 H24 F N O7 SP 1 21/c 110.9165; 16.1273; 12.2969
90; 91.946; 90
2163.67Yamamoto, Daiki; Yamasaki, Shun; Hashimoto, Takuya
Se-catalyzed enantioselective lactamization enabled by a <i>N</i>-fluorosulfonyl group: total synthesis of diaporisoindole A.
Chemical science, 2026, 17, 3313-3319
1576495 CIFC19 H20 O SP 1 21 19.1143; 7.2877; 12.1106
90; 98.273; 90
796.04Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei
Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.
Chemical science, 2026, 17, 3171-3177
1576496 CIFC19 H25 F O3 SP 21 21 2110.1006; 10.2657; 17.658
90; 90; 90
1830.95Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei
Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.
Chemical science, 2026, 17, 3171-3177
1576497 CIFC19 H25 F O3 SP 21 21 216.9914; 8.3848; 30.4141
90; 90; 90
1782.92Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei
Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.
Chemical science, 2026, 17, 3171-3177
1576498 CIFC36 H40 O4 S2P 1 21 15.918; 8.0256; 16.8884
90; 98.632; 90
793.04Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei
Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.
Chemical science, 2026, 17, 3171-3177
1576499 CIFC22 H26 O SP 6517.922; 17.922; 11.4729
90; 90; 120
3191.37Yuwen, Liyan; Tang, Jiazhong; Qi, Yayu; Zou, Tianyi; Zhang, Shaotong; Zhang, Ya-Qian; Zhang, Qing-Wei
Diastereoselective synthesis of cyclopropyl sulfoxides <i>via</i> hydrosulfenation.
Chemical science, 2026, 17, 3171-3177
1576508 CIFC27 H26 N2 O2 SP 21 21 2110.2979; 11.7884; 19.1733
90; 90; 90
2327.56Xiao, Teng-Fei; Jian, Ke-Rui; Gu, Yu-Cheng; Xu, Guo-Qiang; Xu, Peng-Fei
Asymmetric vicinal C(sp<sup>3</sup>)-H difunctionalization of saturated cyclic amines <i>via</i> synergistic photoredox, copper and chiral phosphoric acid catalysis.
Chemical science, 2026, 17, 3240-3247
1576519 CIFC39 H44 N2 ZnP -112.5737; 15.727; 16.9192
82.334; 83.447; 77.717
3227.2Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa
Zincafluorene complex with an empty C-Zn π orbital that captures visible light.
Chemical science, 2026, 17, 3023-3030
1576520 CIFC49 H59 N ZnP b c a16.0503; 18.7163; 26.6927
90; 90; 90
8018.5Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa
Zincafluorene complex with an empty C-Zn π orbital that captures visible light.
Chemical science, 2026, 17, 3023-3030
1576521 CIFC37 H48 N O ZnP 1 21/n 113.8577; 16.6434; 14.0019
90; 92.432; 90
3226.48Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa
Zincafluorene complex with an empty C-Zn π orbital that captures visible light.
Chemical science, 2026, 17, 3023-3030
1576522 CIFC39 H46 N2 ZnP -112.6466; 15.9905; 17.0143
83.503; 84.141; 78.022
3333.24Iwamoto, Hidemitsu; Sunada, Yusuke; Wada, Yoshimasa
Zincafluorene complex with an empty C-Zn π orbital that captures visible light.
Chemical science, 2026, 17, 3023-3030
1576528 CIFC20 H25 N3 O4P 21 21 219.14295; 10.25505; 20.8149
90; 90; 90
1951.63Hughes, Owen R.; Tufail, Afzaal; Hutton, Esme; Nabarro, Joe; Howarth, Rachel; Yates, Nicholas D.; Whitwood, Adrian C.; Robson, Craig N.; Signoret, Nathalie; Fascione, Martin A.; Spicer, Christopher D.; Unsworth, William P.
N-terminal protein-macrocycles enabled by conjugate addition/ring expansion cascade reactions.
Chemical science, 2026, 17, 3320-3328
1576531 CIFC92 H188 Dy Mo12 O56 P5C 1 c 124.6687; 19.2311; 29.3029
90; 113.233; 90
12774.2Lowe, Ethan; Rouzières, Mathieu; Dugmore, Sarah K.; Kelly, Christopher; Wilson, Claire; Canaj, Angelos B.; Clérac, Rodolphe; Murrie, Mark
Highly reducible polyoxometalate-Dy(iii) SMM hybrid materials with exceptional charge stability.
Chemical science, 2026, 17, 3248-3258
1576532 CIFC72 H142 Dy Mo12 O49 P5C 1 c 124.5974; 19.2115; 29.5224
90; 113.102; 90
12832.1Lowe, Ethan; Rouzières, Mathieu; Dugmore, Sarah K.; Kelly, Christopher; Wilson, Claire; Canaj, Angelos B.; Clérac, Rodolphe; Murrie, Mark
Highly reducible polyoxometalate-Dy(iii) SMM hybrid materials with exceptional charge stability.
Chemical science, 2026, 17, 3248-3258
1576584 CIFC44 H58 B30 Cl2C 1 2/c 17.245; 31.353; 23.751
90; 91.88; 90
5392.2Yuhara, Kazuhiro; Takemori, Sota; Yanagihara, Takumi; Ohtani, Shunsuke; Ogoshi, Tomoki; Tanaka, Kazuo
Guest-induced emission enhancement in the permanent porous conjugated carboracycle crystal.
Chemical science, 2026, 17, 3691-3699
1576585 CIFC44 H58 B30 Br2C 1 2/c 17.2884; 31.271; 23.733
90; 92.054; 90
5406Yuhara, Kazuhiro; Takemori, Sota; Yanagihara, Takumi; Ohtani, Shunsuke; Ogoshi, Tomoki; Tanaka, Kazuo
Guest-induced emission enhancement in the permanent porous conjugated carboracycle crystal.
Chemical science, 2026, 17, 3691-3699
1576586 CIFC86 H102 Al2 F72 Ga2 O9 P4P -117.168; 17.984; 22.621
69.09; 67.933; 63.812
5653Barthélemy, Antoine; Kub, Nico Gino; Regnat, Celine; Scherer, Harald; Krossing, Ingo
Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations.
Chemical science, 2026, 17, 4004-4020

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