Crystallography Open Database

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1573293 CIFC22 H32 Cl2 P2 PtP 1 21/c 119.6329; 14.5514; 18.4286
90; 113.829; 90
4816Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.
Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.
Chemical science, 2024, 16, 255-279
1573294 CIFC39 H24 Cl4 F12 P2 PtP 1 21/n 110.297; 21.652; 19.471
90; 104.527; 90
4202.3Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.
Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.
Chemical science, 2024, 16, 255-279
1573295 CIFC42 H16 F24 P2C 1 2/c 118.2822; 17.4936; 15.4479
90; 124.678; 90
4062.9Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.
Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.
Chemical science, 2024, 16, 255-279
1573296 CIFC42 H16 Cl2 F24 P2 PtP 1 21/n 112.3782; 21.2832; 17.4143
90; 90.947; 90
4587.1Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.
Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.
Chemical science, 2024, 16, 255-279
1573297 CIFC92 H96 Cl20 P4 Pt2P b c n22.317; 21.114; 21.952
90; 90; 90
10344Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.
Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.
Chemical science, 2024, 16, 255-279
1573298 CIFC15 H16 Eu N6 O11P 1 21/n 110.0737; 16.5107; 12.7562
90; 104.639; 90
2052.79Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E.
Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of lanthanide(iii) with diamagnetic ground state (Ln = Lu, Eu).
Chemical science, 2024, 16, 218-232
1573299 CIFC15 H16 Lu N6 O11P 1 21/n 19.9511; 16.4632; 12.8156
90; 104.088; 90
2036.39Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E.
Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of lanthanide(iii) with diamagnetic ground state (Ln = Lu, Eu).
Chemical science, 2024, 16, 218-232
1573300 CIFC30 H25 N O3P 19.9067; 11.5214; 11.6032
93.702; 109.012; 103.102
1205.68He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng
Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.
Chemical science, 2025, 16, 834-839
1573301 CIFC30 H27 N O3P 21 21 217.51317; 15.2775; 21.463
90; 90; 90
2463.58He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng
Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.
Chemical science, 2025, 16, 834-839
1573302 CIFC28 H21 N O2P 21 21 216.22984; 15.4298; 22.0803
90; 90; 90
2122.47He, Yicheng; Yan, Biwei; Ma, Cheng; Ni, Shaofei; Guo, Wusheng
Ni-catalyzed asymmetric decarboxylation for the construction of carbocycles with contiguous quaternary carbon stereocenters.
Chemical science, 2025, 16, 834-839
1573303 CIFC22 H24 Cu F12 N10 O8 S4P -110.3863; 13.163; 14.3802
90.6959; 101.511; 104.786
1858.52Nishiguchi, Taichi; Ohara, Yuki; Kadota, Kentaro; Zheng, Xin; Noro, Shin-Ichiro; Horike, Satoshi
Mechanically induced polyamorphism in a one-dimensional coordination polymer.
Chemical science, 2025, 16, 621-626
1573309 CIFC14 H15 N3P -18.7161; 9.2511; 9.8844
63.309; 64.432; 72.772
637.16Mandal, Mrinal; Mardanya, Sukumar; Saha, Arijit; Singh, Manjeev; Ghosh, Swarnali; Chatterjee, Tanmay; Patra, Ramen; Bhunia, Surojit; Mandal, Saptarshi; Mukherjee, Soumen; Debnath, Rahul; Reddy, C. Malla; Das, Mousumi; Mandal, Prasun K.
Charge-transfer mediated J-aggregation in red emitting ultra-small-single-benzenic <i>meta</i>-fluorophore crystals.
Chemical science, 2025, 16, 901-909
1573310 CIFC12 H11 N3P 1 21/c 115.292; 10.45; 6.872
90; 97.614; 90
1088.5Mandal, Mrinal; Mardanya, Sukumar; Saha, Arijit; Singh, Manjeev; Ghosh, Swarnali; Chatterjee, Tanmay; Patra, Ramen; Bhunia, Surojit; Mandal, Saptarshi; Mukherjee, Soumen; Debnath, Rahul; Reddy, C. Malla; Das, Mousumi; Mandal, Prasun K.
Charge-transfer mediated J-aggregation in red emitting ultra-small-single-benzenic <i>meta</i>-fluorophore crystals.
Chemical science, 2025, 16, 901-909
1573368 CIFC59 H82 Ga2 N4 O P2P 1 21/c 123.5423; 13.8181; 17.4303
90; 96.371; 90
5635.2Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan
Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.
Chemical science, 2025, 16, 1189-1196
1573369 CIFC72 H108 Ga2 N6 O P2C 1 2/c 126.3977; 13.4903; 40.1349
90; 91.7723; 90
14285.7Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan
Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.
Chemical science, 2025, 16, 1189-1196
1573370 CIFC69 H106 Ga2 N4 O P2 SiP 1 21/c 115.1894; 13.1269; 34.6139
90; 96.719; 90
6854.3Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan
Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.
Chemical science, 2025, 16, 1189-1196
1573371 CIFC79 H111 Ga2 N6 O P2C 1 2/c 120.731; 18.24; 39.5206
90; 95.9543; 90
14863.4Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan
Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.
Chemical science, 2025, 16, 1189-1196
1573372 CIFC28 H27 N3 O2 SP -19.4004; 10.111; 13.6049
97.488; 104.094; 95.42
1232.74Saha, Shib Nath; Ballav, Nityananda; Ghosh, Suman; Baidya, Mahiuddin
Regioselective intermolecular carboamination of allylamines <i>via</i> nucleopalladation: empowering three-component synthesis of vicinal diamines.
Chemical science, 2024, 16, 386-392
1573373 CIFC21 H21 N3 OP 1 21/c 19.9446; 20.0301; 18.2275
90; 95.7521; 90
3612.5Saha, Shib Nath; Ballav, Nityananda; Ghosh, Suman; Baidya, Mahiuddin
Regioselective intermolecular carboamination of allylamines <i>via</i> nucleopalladation: empowering three-component synthesis of vicinal diamines.
Chemical science, 2024, 16, 386-392
1573374 CIFC15 H23 B O4P -19.1472; 9.2824; 9.3217
97.608; 94.602; 101.377
764.48Vyas, Het; Gangani, Ashvin J.; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek
Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process.
Chemical science, 2025, 16, 1205-1215
1573375 CIFC22 H28 B N O7P 1 21/c 117.4121; 10.4286; 13.1111
90; 109.67; 90
2241.84Vyas, Het; Gangani, Ashvin J.; Mini, Aiswarya; Pathil, Melissa; Ruth, Austin; Sharma, Abhishek
Strain-release enables access to carbonyl conjugated allylic diborons and alkenyl boronates having multiple contiguous stereocenters in a one-pot process.
Chemical science, 2025, 16, 1205-1215
1573376 CIFC9 H7 F6 N5P n a 2110.0705; 18.6804; 5.758
90; 90; 90
1083.2Michelini, Lorenzo; Slaney, Tanya; Virk, Seerat; Rafic, Estefanía; Qie, L. Charlie; Corejova, Klara; Lepage, Mathieu L.; Musolino, Stefania F.; Oliver, Allen G.; Etchenique, Roberto; Hong, W. David; DiLabio, Gino A.; Wulff, Jeremy E.
A diazirine's central carbon is sp<sup>2</sup>-hybridized, facilitating conjugation to dye molecules.
Chemical science, 2025, 16, 970-979
1573398 CIFC34 H28 N2 O6P b c a10.6143; 13.2575; 19.9774
90; 90; 90
2811.2Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu
Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.
Chemical science, 2025, 16, 910-919
1573399 CIFC80 H66 N16 O8P -111.1096; 11.2145; 15.2337
68.402; 79.501; 69.937
1654.2Zhou, Huan; Zhang, Yuxuan; Zheng, Zhiye; Wan, Junhua; Zhang, Hui; Lin, Kunhua; Sessler, Jonathan L.; Wang, Hongyu
Internally diketopyrrolopyrrole-bridged bis-anthracene macrocycle: a multifunctional fluorescent platform.
Chemical science, 2025, 16, 910-919
1573400 CIFC100 H92 Cl3 N16 O18P -114.3247; 17.1233; 23.0646
96.822; 98.846; 108.196
5226.07Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan
Design of an abiotic unimolecular three-helix bundle.
Chemical science, 2025, 16, 1136-1146
1573401 CIFC104.52 H93.44 Cl2 N19 O17.94P -113.1606; 17.3713; 24.34
95.661; 93.989; 105.354
5313.14Wang, Shuhe; Sigl, Johannes; Allmendinger, Lars; Maurizot, Victor; Huc, Ivan
Design of an abiotic unimolecular three-helix bundle.
Chemical science, 2025, 16, 1136-1146
1573402 CIFC17 H16 F N O2P 1 21 16.4767; 15.7755; 7.425
90; 100.19; 90
746.67Tian, Kui; Jin, Zhuan; Liu, Xin-Lian; He, Ling; Liu, Hong-Fu; Yu, Pin-Ke; Chang, Xin; Dong, Xiu-Qin; Wang, Chun-Jiang
Stereodivergent assembly of δ-valerolactones with an azaarene-containing quaternary stereocenter enabled by Cu/Ru relay catalysis.
Chemical science, 2025, 16, 1233-1240
1573403 CIFC16 H19 N3P 1 21 17.8385; 5.253; 16.8163
90; 103.167; 90
674.22Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel
Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.
Chemical science, 2025, 16, 876-888
1573404 CIFC65 H67 N5 P2P 1 21/c 110.8196; 21.236; 24.229
90; 102.703; 90
5430.7Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel
Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.
Chemical science, 2025, 16, 876-888
1573405 CIFC17 H17 N3P 1 21/c 17.2792; 9.3758; 20.838
90; 99.559; 90
1402.4Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel
Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.
Chemical science, 2025, 16, 876-888
1573406 CIFC65 H66 F N5 P2P 1 21/n 110.8647; 21.2993; 24.1947
90; 102.911; 90
5457.4Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel
Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.
Chemical science, 2025, 16, 876-888
1573407 CIFC17 H19 N3 OP 21 21 214.6237; 9.0404; 35.034
90; 90; 90
1464.4Pilopp, Yannic; Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Villinger, Alexander; Schulz, Axel
Designing a visible light-mediated double photoswitch: a combination of biradical and azobenzene structural motifs that can be switched independently.
Chemical science, 2025, 16, 876-888
1573408 CIFC206 H123 Al8 F233 O24 Y2P 1 21/n 118.06498; 19.02813; 39.8336
90; 94.9425; 90
13641.6Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.
A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.
Chemical science, 2025, 16, 610-620
1573409 CIFC74 H154 B12 Dy6P -115.6166; 16.3417; 21.7358
90.725; 110.278; 117.066
4536Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.
A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.
Chemical science, 2025, 16, 610-620
1573410 CIFC62 H25 Al2 Dy F78 O8P 1 21/c 121.7517; 20.9203; 18.7796
90; 93.564; 90
8529.2Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.
A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.
Chemical science, 2025, 16, 610-620
1573411 CIFC10 H23 B2 DyP 1 21/c 18.3735; 20.8167; 8.5037
90; 117.93; 90
1309.61Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.
A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.
Chemical science, 2025, 16, 610-620
1573412 CIFC40 H92 B8 Y4P 1 21/c 116.9654; 21.7125; 14.5559
90; 90.735; 90
5361.39Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.
A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.
Chemical science, 2025, 16, 610-620
1573413 CIFC60 H54 Al2 F57 O6 Si3 YP -116.6426; 16.7663; 18.4889
105.461; 104.692; 113.53
4163.3Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.
A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.
Chemical science, 2025, 16, 610-620
1573414 CIFC206 H123 Al8 Dy2 F233 O24P 1 21/n 118.2139; 19.314; 40.1803
90; 94.849; 90
14084.2Corner, Sophie C.; Blackmore, William J. A.; Gransbury, Gemma K.; Mattioni, Andrea; Whitehead, George F. S.; Chilton, Nicholas F.; Mills, David P.
A fluorobenzene-bound dysprosium half-sandwich dication single-molecule magnet.
Chemical science, 2025, 16, 610-620
1573415 CIFC14 H16 N4 O4 WC 1 2/c 18.6484; 14.2399; 13.3208
90; 97.498; 90
1626.5Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.
Tungsten-catalyzed stereodivergent isomerization of terminal olefins.
Chemical science, 2025, 16, 2307-2315
1573416 CIFC38 H46 N2 O12 W2P -18.9455; 10.6935; 12.0535
66.56; 71.07; 71.049
974.88Jankins, Tanner C.; Rubel, Camille Z.; Ho, Hang Chi; Martin-Montero, Raul; Engle, Keary M.
Tungsten-catalyzed stereodivergent isomerization of terminal olefins.
Chemical science, 2025, 16, 2307-2315
1573430 CIFC51 H43 N3P 1 21/n 112.0996; 10.9016; 29.2496
90; 96.378; 90
3834.3Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin
Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.
Chemical science, 2025, 16, 1155-1160
1573431 CIFC49 H39 B N2 O2P 1 21/c 113.211; 20.856; 15.732
90; 114.86; 90
3933Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin
Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.
Chemical science, 2025, 16, 1155-1160
1573432 CIFC55 H43 B N2P -112.2357; 13.4613; 14.9649
78.284; 77.397; 76.902
2312.08Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin
Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.
Chemical science, 2025, 16, 1155-1160
1573433 CIFC50 H41 B N2 O2P -114.4553; 15.13; 21.027
92.22; 94.235; 98.658
4528.2Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin
Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.
Chemical science, 2025, 16, 1155-1160
1573434 CIFC49 H39 B N2 OP -111.919; 12.5825; 14.8081
104.186; 110.328; 96.071
1974Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin
Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.
Chemical science, 2025, 16, 1155-1160
1573435 CIFC49 H39 B N2P -111.6677; 12.7694; 14.5328
103.399; 109.908; 94.935
1948Liu, Le; Song, Shuangji; Lee, Jiyeon; Rao, Yutao; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Oh, Juwon; Kim, Jiwon; Osuka, Atsuhiro; Song, Jianxin
Sub-<i>m</i>-benziporphyrin: a subcarbaporphyrinoid and its B<sup>III</sup> complex with an unprecedented planar tridentate 14π-aromatic network.
Chemical science, 2025, 16, 1155-1160
1573437 CIFC126 H170 Mo12 N26 O74P 1 21/n 123.4316; 20.2535; 24.6419
90; 104.086; 90
11342.7Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.
Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.
Chemical science, 2025, 16, 2589-2599
1573438 CIFC108 H108 Mo12 N18 O72P 6/m20.6212; 20.6212; 15.9529
90; 90; 120
5874.87Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.
Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.
Chemical science, 2025, 16, 2589-2599
1573439 CIFC120 H132 Mo12 N18 O72P -118.9295; 20.8274; 31.777
84.01; 86.075; 80.923
12286.5Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.
Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.
Chemical science, 2025, 16, 2589-2599
1573440 CIFC144 H204 Mo12 N24 O72P 1 21/n 123.4926; 21.0361; 24.7119
90; 103.643; 90
11867.9Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.
Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.
Chemical science, 2025, 16, 2589-2599
1573441 CIFC112 H122 Mo12 N20 O72C m c e37.4589; 29.3487; 20.1896
90; 90; 90
22195.8Yadav, Ankit K.; Gładysiak, Andrzej; Wolpert, Emma H.; Ganose, Alex M.; Samel-Garloff, Bronson; Koley, Dipankar; Jelfs, Kim E.; Stylianou, Kyriakos C.
Solvatomorphic diversity dictates the stability and solubility of metal-organic polyhedra.
Chemical science, 2025, 16, 2589-2599
1573442 CIFC54.83 H67.65 Cl1.65 N6 O2P -18.0413; 14.3206; 21.6156
78.691; 88.151; 87.222
2437.3Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.
Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.
Chemical science, 2025, 16, 2170-2179
1573443 CIFC54 H66 N6 S2P -16.81179; 8.26449; 20.8251
92.8453; 96.3218; 95.0155
1158.7Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.
Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.
Chemical science, 2025, 16, 2170-2179
1573444 CIFC54 H64 N8 O6C 1 2/c 147.3727; 10.9462; 9.5717
90; 90.519; 90
4963.2Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.
Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.
Chemical science, 2025, 16, 2170-2179
1573445 CIFC32 H22 N6 S2P 1 21/c 16.73075; 13.0685; 14.6429
90; 91.099; 90
1287.76Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.
Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.
Chemical science, 2025, 16, 2170-2179
1573446 CIFC32 H22 N6 O2C 1 2/c 123.4345; 7.9786; 13.6019
90; 105.599; 90
2449.54Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.
Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.
Chemical science, 2025, 16, 2170-2179
1573447 CIFC54 H66 N6 S2P 1 21/c 126.3539; 5.7949; 16.2792
90; 106.857; 90
2379.3Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.
Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.
Chemical science, 2025, 16, 2170-2179
1573448 CIFC46 H50 N6 O4P 1 21/n 112.653; 17.7756; 18.8818
90; 102.848; 90
4140.47Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T.
Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission.
Chemical science, 2025, 16, 2170-2179
1573449 CIFC60 H59 N24 O29.5 Zn9R -3 c :H15.31573; 15.31573; 56.9773
90; 90; 120
11574.7Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua
Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.
Chemical science, 2025, 16, 1730-1736
1573450 CIFC348 H288 I56.6 N156 O118.8 Zn54F d -3 :258.9792; 58.9792; 58.9792
90; 90; 90
205162Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua
Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.
Chemical science, 2025, 16, 1730-1736
1573451 CIFC523.2 H705.2 N195.61 O170 Zn54F d -3 :258.3017; 58.3017; 58.3017
90; 90; 90
198173Tao, Ye; Dong, Qiubing; Wan, Jingmeng; Huang, Fu-Ping; Duan, Jingui; Zeng, Ming-Hua
Evolution from [Zn<sub>9</sub>] to a record-high [Zn<sub>54</sub>] subblock and engineering a hierarchical supramolecular framework for enhanced iodine uptake.
Chemical science, 2025, 16, 1730-1736
1573455 CIFC34 H22 Br2 F2 N4 O2C 1 2/c 113.8725; 29.1188; 9.362
90; 127.298; 90
3008.4Qi, Liang-Wen; Twumasi, Emmanuella Bema; Li, Xiao-Wei; Li, Rui; Lu, Yixin
Reductive coupling of azonaphthalenes for the synthesis of BINAMs <i>via</i> a diboron-enabled [5,5]-sigmatropic rearrangement.
Chemical science, 2025, 16, 1441-1446
1573456 CIFC28 H19 N O SP 1 21/c 120.812; 7.486; 13.413
90; 105.313; 90
2015.5Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit
Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.
Chemical science, 2025, 16, 709-720
1573457 CIFC25 N O SP 1 21/c 123.545; 7.4959; 24.005
90; 117.294; 90
3765Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit
Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.
Chemical science, 2025, 16, 709-720
1573458 CIFC24 H17 N O SP 1 21/n 111.7018; 13.6726; 21.985
90; 91.133; 90
3516.8Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit
Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.
Chemical science, 2025, 16, 709-720
1573459 CIFC25 H19 N O SP 1 21/n 18.381; 20.496; 11.336
90; 105.075; 90
1880.3Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit
Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.
Chemical science, 2025, 16, 709-720
1573460 CIFC24 H19 N O SR -3 :H32.1279; 32.1279; 9.3505
90; 90; 120
8358.5Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit
Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.
Chemical science, 2025, 16, 709-720
1573461 CIFC30 H21 N O SP 1 21 15.9514; 16.6; 22.163
90; 90.368; 90
2189.5Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit
Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.
Chemical science, 2025, 16, 709-720
1573462 CIFC26 H19 N O SP 1 21/n 112.2581; 25.0852; 12.7705
90; 95.524; 90
3908.7Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit
Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.
Chemical science, 2025, 16, 709-720
1573463 CIFC24 H17 N O2 SP 21 21 217.3105; 9.5818; 26.479
90; 90; 90
1854.8Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit
Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.
Chemical science, 2025, 16, 709-720
1573464 CIFC26 H25 F O6P -17.2891; 9.7884; 15.6447
88.064; 84.589; 80.174
1094.77Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na
Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes.
Chemical science, 2025, 16, 1411-1416
1573465 CIFC22 H19 F O2P n a 2111.4103; 16.6264; 9.2337
90; 90; 90
1751.75Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na
Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes.
Chemical science, 2025, 16, 1411-1416
1573466 CIFC27 H22 F3 Fe N O2 SP 21 21 219.5134; 9.874; 24.656
90; 90; 90
2316.1Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit
Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.
Chemical science, 2025, 16, 700-708
1573467 CIFC22 H20 F3 Fe N O2 SP -19.65; 10.5668; 11.6109
89.893; 69.144; 67.203
1007.15Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit
Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.
Chemical science, 2025, 16, 700-708
1573468 CIFC27 H22 F3 Fe N O2 SP 21 21 219.5665; 9.829; 25.415
90; 90; 90
2389.8Parganiha, Devendra; Thorat, Raviraj Ananda; Dhumale, Ashwini Dilip; Upadhyay, Yagya Dutt; Jha, Raushan Kumar; Raju, Saravanan; Kumar, Sangit
Substrate NOBINAc ligand affinity for Pd<sup>II</sup>-catalyzed enantioselective C-H activation over reactive β-C-H bonds in ferrocenyl amines.
Chemical science, 2025, 16, 700-708
1573541 CIFC22 H28 Na4 O10 P2P 1 21/c 112.6672; 6.1624; 18.016
90; 106.967; 90
1345.1Zhang, Yan; Apostol, Petru; Rambabu, Darsi; Guo, Xiaolong; Liu, Xuelian; Lin, Xiaodong; Xie, Haijiao; Chen, Xiaohua; Robeyns, Koen; Wang, Jiande; Wang, Junzhong; Vlad, Alexandru
Ionically conducting Li- and Na-phosphonates as organic electrode materials for rechargeable batteries.
Chemical science, 2025, 16, 1819-1825
1573542 CIFC86 H44 N2I 1 2/a 115.8224; 21.9763; 28.7119
90; 93.501; 90
9965Nakamura, Tomoya; Nagai, Takabumi; Miyake, Yuki; Yamada, Takumi; Miura, Makoto; Yoshida, Hiroyuki; Kanemitsu, Yoshihiko; Truong, Minh Anh; Murdey, Richard; Wakamiya, Atsushi
Single-isomer bis(pyrrolidino)fullerenes as electron-transporting materials for tin halide perovskite solar cells.
Chemical science, 2025, 16, 2265-2272
1573543 CIFC27 H20 F2 O3P -19.86943; 17.5275; 26.1199
95.7908; 99.8803; 106.339
4218.1Li, Na; Li, Chenghui; Zhou, Qianying; Zhang, Xin; Deng, Zhouming; Jiang, Zhong-Xing; Yang, Zhigang
General access to furan-substituted <i>gem</i>-difluoroalkenes enabled by PFTB-promoted cross-coupling of ene-yne-ketones and difluorocarbene.
Chemical science, 2025, 16, 1455-1464
1573545 CIFC26 H21 B N4 OP 1 21/n 19.804; 16.35; 13.564
90; 108.989; 90
2056Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B.
Ligand protonation leads to highly fluorescent boronium cations.
Chemical science, 2025, 16, 2258-2264
1573546 CIFC34 H32 B Cl3 N4 OP 21 21 219.673; 16.008; 20.119
90; 90; 90
3115Watson, Alexander E. R.; Boyle, Paul D.; Ragogna, Paul J.; Gilroy, Joe B.
Ligand protonation leads to highly fluorescent boronium cations.
Chemical science, 2025, 16, 2258-2264
1573547 CIFB2 Ba Ca Cs F O5P -4 21 m8.8668; 8.8668; 8.7669
90; 90; 90
689.25Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei
Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.
Chemical science, 2025, 16, 2015-2023
1573548 CIFB2 Ba Ca F O5 RbP -4 21 m8.7713; 8.7713; 4.3173
90; 90; 90
332.15Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei
Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.
Chemical science, 2025, 16, 2015-2023
1573549 CIFB2 Ba Ca F K O5P -4 21 m8.7276; 8.7276; 4.284
90; 90; 90
326.32Chen, Fuqiang; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei
Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides.
Chemical science, 2025, 16, 2015-2023
1573550 CIFC38 H32 N4 O2P -17.2089; 9.3281; 11.0857
97.148; 92.22; 96.254
734.23Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli
pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.
Chemical science, 2025, 16, 1772-1782
1573551 CIFC42 H34 F6 N4 O6C 1 2/c 113.3398; 12.3038; 25.4069
90; 97.608; 90
4133.3Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli
pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.
Chemical science, 2025, 16, 1772-1782
1573552 CIFC19 H17 N3P -19.295; 9.499; 10.348
79.673; 65.183; 63.713
743.5Mandal, Debasish; Sarkar, Abani; Behera, Kanhu Charan; Ravikanth, Mangalampalli
pH-responsive supramolecular switch of a rationally designed dipyrroethene-based chromophore.
Chemical science, 2025, 16, 1772-1782
1573553 CIFC64 H92 N4 Tb2P n a 2130.8903; 10.27991; 18.11204
90; 90; 90
5751.47Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen
Rare earth benzene tetraanion-bridged amidinate complexes.
Chemical science, 2025, 16, 1907-1924
1573554 CIFC10.09 H14.96 Cl0.17 Dy0.17 N0.7C 1 2/c 123.9612; 10.5893; 22.5423
90; 112.235; 90
5294.4Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen
Rare earth benzene tetraanion-bridged amidinate complexes.
Chemical science, 2025, 16, 1907-1924
1573555 CIFC65 H94 I N4 YI 1 2/a 125.2282; 10.9625; 23.8393
90; 116.041; 90
5923.8Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen
Rare earth benzene tetraanion-bridged amidinate complexes.
Chemical science, 2025, 16, 1907-1924
1573556 CIFC58 H86 Cl N4 TbC 1 2/c 123.9599; 10.5837; 22.4979
90; 112.183; 90
5282.8Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen
Rare earth benzene tetraanion-bridged amidinate complexes.
Chemical science, 2025, 16, 1907-1924
1573557 CIFC67 H99 Dy2 N4P 1 21/c 110.8382; 38.9439; 15.0078
90; 105.063; 90
6116.87Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen
Rare earth benzene tetraanion-bridged amidinate complexes.
Chemical science, 2025, 16, 1907-1924
1573558 CIFC67 H99 N4 Y2P 1 21/c 110.8398; 38.9679; 15.0051
90; 105.029; 90
6121.42Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen
Rare earth benzene tetraanion-bridged amidinate complexes.
Chemical science, 2025, 16, 1907-1924
1573559 CIFC75 H120 N4 Tb2P -114.4004; 15.4059; 18.05
97.598; 103.094; 112.008
3510.01Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen
Rare earth benzene tetraanion-bridged amidinate complexes.
Chemical science, 2025, 16, 1907-1924
1573560 CIFC65 H94 Gd I N4C 1 2/c 126.171; 11.0443; 23.94
90; 119.762; 90
6006.9Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen
Rare earth benzene tetraanion-bridged amidinate complexes.
Chemical science, 2025, 16, 1907-1924
1573561 CIFC64 H92 Gd2 N4P b c a18.1193; 35.666; 36.498
90; 90; 90
23587Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen
Rare earth benzene tetraanion-bridged amidinate complexes.
Chemical science, 2025, 16, 1907-1924
1573562 CIFC27 H36 B N3 OP 1 21/c 112.67284; 9.17962; 22.43254
90; 96.7556; 90
2591.5Tang, 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
1573563 CIFC53 H74 B N5 P2P 1 21/c 112.8968; 19.8442; 40.8371
90; 96.999; 90
10373.4Tang, 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
1573564 CIFC45 H52.4 B2 K N3 O2I -422.7178; 22.7178; 15.9414
90; 90; 90
8227.3Tang, 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
1573565 CIFC33 H42 B N3P 1 21/n 19.7098; 16.9985; 17.7195
90; 93.843; 90
2918.06Tang, 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

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