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

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