Crystallography Open Database

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1572633 CIFC384 H348 N30 Zn6P -3 m 149.3794; 49.3794; 28.6911
90; 90; 120
60585.6Stawski, Wojciech; Anderson, Harry Laurence
Polymorphism and flexibility of six-porphyrin nanorings in the solid state
Chemical Science, 2024
1572634 CIFC384 H348 N30 Zn6P -3 m 149.745; 49.745; 55.2247
90; 90; 120
118348Stawski, Wojciech; Anderson, Harry Laurence
Polymorphism and flexibility of six-porphyrin nanorings in the solid state
Chemical Science, 2024
1572635 CIFC390 H352 Cl2 N30 Zn6P -120.6135; 38.7108; 39.1085
81.878; 80.21; 74.897
29535.9Stawski, Wojciech; Anderson, Harry Laurence
Polymorphism and flexibility of six-porphyrin nanorings in the solid state
Chemical Science, 2024
1572636 CIFC240 H172 Cl8 N12I 1 2/m 120.1388; 53.4956; 31.8306
90; 106.792; 90
32830.1Stawski, Wojciech; Anderson, Harry Laurence
Polymorphism and flexibility of six-porphyrin nanorings in the solid state
Chemical Science, 2024
1572637 CIFC70 H65 B N2P -113.4271; 13.9487; 19.3551
102.551; 105.385; 106.129
3187.5Wang, Jingxiang; Chen, Dongyang; Naranjo, Juan; Zinna, Francesco; Frédéric, Lucas; Cordes, David Bradford; McKay, Aidan P.; Fuchter, Matthew; Zhang, Xiaohong; Zysman-Colman, Eli
Helically chiral multiresonant thermally activated delayed fluorescent emitters and their use in hyperfluorescent organic light-emitting diodes
Chemical Science, 2024
1572638 CIFC89 H90 B N3 O2P 21 21 2110.53694; 20.05694; 33.47918
90; 90; 90
7075.45Wang, Jingxiang; Chen, Dongyang; Naranjo, Juan; Zinna, Francesco; Frédéric, Lucas; Cordes, David Bradford; McKay, Aidan P.; Fuchter, Matthew; Zhang, Xiaohong; Zysman-Colman, Eli
Helically chiral multiresonant thermally activated delayed fluorescent emitters and their use in hyperfluorescent organic light-emitting diodes
Chemical Science, 2024
1572639 CIFC24 H28 Au O2.5 PP b c n15.7586; 19.2635; 14.1296
90; 90; 90
4289.3León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
Catechol/o-benzoquinone exchange at gold(iii)
Chemical Science, 2024
1572640 CIFC32.5 H65 Au B9 Cl N4 O2 P2P 1 21/n 111.279; 13.765; 29.733
90; 94.479; 90
4602León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
Catechol/o-benzoquinone exchange at gold(iii)
Chemical Science, 2024
1572641 CIFC22 H22 Au Cl2 O2 PP 1 21/c 110.7611; 14.4997; 13.7734
90; 98.291; 90
2126.6León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
Catechol/o-benzoquinone exchange at gold(iii)
Chemical Science, 2024
1572642 CIFC19 H46 Au B9 Cl5 N4 P2C 1 2/m 119.4759; 17.3049; 10.6632
90; 102.725; 90
3505.5León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
Catechol/o-benzoquinone exchange at gold(iii)
Chemical Science, 2024
1572643 CIFC31.32 H43.3 Au O2.33 PR -3 :H28.7347; 28.7347; 20.9068
90; 90; 120
14949.7León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
Catechol/o-benzoquinone exchange at gold(iii)
Chemical Science, 2024
1572644 CIFC24 H49 Au B9 N4 O2 P2P 1 21 19.5342; 17.6708; 10.3038
90; 95.66; 90
1727.5León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
Catechol/o-benzoquinone exchange at gold(iii)
Chemical Science, 2024
1572645 CIFC22 H20 Au Cl4 O2 PP b c a15.3901; 15.6458; 19.214
90; 90; 90
4626.5León, Félix; García-Rodeja, Yago; Mallet-Ladeira, Sonia; Miqueu, Karinne; Szalóki, György; Bourissou, Didier
Catechol/o-benzoquinone exchange at gold(iii)
Chemical Science, 2024
1572646 CIFC90 H161.64 K6 O18P -120.6538; 25.2668; 25.4854
119.028; 90.191; 112.348
10461.4Masero, Fabio; Mougel, Victor
Chemical and Redox Non-Innocence in Low-Valent Molybdenum β-Diketonate Complexes: Novel Pathways for CO2 and CS2 Activation
Chemical Science, 2024
1572647 CIFC44 H32 Br2 Mn O2 P2P 21 21 2112.3218; 15.3674; 20.1514
90; 90; 90
3815.7Kong, De-Hao; Wu, Yue; Shi, Cui-Mi; Zeng, Hao; Xu, Liang-Jin; Chen, Zhong-Ning
Highly Efficient Circularly Polarized Electroluminescence Based on Chiral Manganese (II) Complexes
Chemical Science, 2024
1572648 CIFC44 H32 Br2 Mn O2 P2P 21 21 2112.2709; 15.4159; 20.1625
90; 90; 90
3814.1Kong, De-Hao; Wu, Yue; Shi, Cui-Mi; Zeng, Hao; Xu, Liang-Jin; Chen, Zhong-Ning
Highly Efficient Circularly Polarized Electroluminescence Based on Chiral Manganese (II) Complexes
Chemical Science, 2024
1572662 CIFC77 H61 Cu N2P 1 21/c 111.1755; 29.096; 18.61
90; 105.731; 90
5824.6Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572663 CIFC95 H75 Cu F2 N2 O SP 1 21/n 114.7045; 25.388; 19.6946
90; 94.099; 90
7333.5Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572664 CIFC87 H79 Cl2 Cu N2 O3P -114.389; 19.498; 25.095
88.045; 89.523; 84.392
7003Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572665 CIFC77 H61 Cu N2 O2P n a 2133.633; 12.0225; 14.4644
90; 90; 90
5848.7Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572666 CIFC90 H69 Cu F2 N2 O3P b c a17.6667; 23.566; 34.121
90; 90; 90
14206Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572667 CIFC84 H66 Cu2 Fe2 P4P b c n21.973; 19.4588; 45.8368
90; 90; 90
19598.4Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572668 CIFC84 H67 Cu N2 OP 1 21/c 111.1609; 22.9772; 24.3876
90; 93.141; 90
6244.7Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572669 CIFC95.25 H79.51 Cu F2 N2 OP -113.2312; 13.3247; 23.32
86.812; 83.797; 63.701
3664.1Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572670 CIFC75 H59 Cu N2 SP 1 21/c 111.1621; 28.8506; 18.6601
90; 105.503; 90
5790.5Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572671 CIFC93.21 H73.75 Cl2 Cu F2 N2 OP -113.262; 13.3089; 23.2168
86.485; 83.009; 63.633
3644.1Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572672 CIFC452 H344 Cu8 P16P 1 21 113.6127; 24.0012; 26.5094
90; 90.423; 90
8660.9Tran, Ba; Fuller III, Jack; Erickson, Jeremy D.; Ginovska, Bojana; Raugei, Simone
Direct Observation of β-Alkynyl Eliminations from Unstrained Propargylic Alkoxide Cu(I) Complexes by C-C Bond Cleavage
Chemical Science, 2024
1572675 CIFC94 H105 Fe2 N15 O14P -112.778; 16.435; 21.845
82.66; 82.881; 80.64
4464Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter Ping-Yu; Rath, Sankar Prasad
Probing Substrate Binding inside a Paramagnetic Cavity: A NMR Spectroscopy Toolbox for Combined Experimental and Theoretical Investigation
Chemical Science, 2024
1572676 CIFC110 H143 Fe2 N9 O2C 1 2/c 124.4285; 17.2727; 23.7474
90; 98.248; 90
9916.5Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter Ping-Yu; Rath, Sankar Prasad
Probing Substrate Binding inside a Paramagnetic Cavity: A NMR Spectroscopy Toolbox for Combined Experimental and Theoretical Investigation
Chemical Science, 2024
1572677 CIFC94 H101 F10 Fe2 N9 O2I 1 2/a 134.122; 14.8098; 35.216
90; 100.218; 90
17514Sarkar, Sabyasachi; Wu, Chang-Quan; Manna, Santanu; Samanta, Deepannita; Chen, Peter Ping-Yu; Rath, Sankar Prasad
Probing Substrate Binding inside a Paramagnetic Cavity: A NMR Spectroscopy Toolbox for Combined Experimental and Theoretical Investigation
Chemical Science, 2024
1572691 CIFC27 H34 N2 O5 SiP 1 21/n 121.073; 6.658; 21.467
90; 117.635; 90
2668.3Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki
Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.
Chemical science, 2024, 15, 15599-15609
1572692 CIFC19 H30 Cl2 Fe N7 P3P 1 21/n 110.9336; 17.7838; 13.0108
90; 102.254; 90
2472.19Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki
Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.
Chemical science, 2024, 15, 15599-15609
1572693 CIFC24 H28 N2 O4P 1 21/c 110.4706; 11.081; 18.106
90; 97.388; 90
2083.3Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki
Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the <i>iboga</i>-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system.
Chemical science, 2024, 15, 15599-15609
1572697 CIFC16 H17 N OC 1 2 120.291; 5.8861; 14.4945
90; 128.653; 90
1351.9Pan, Xiuhong; Lan, Linfeng; Zhang, Hongyu
Flexible Organic Crystals with Multi-Stimuli-Responsive CPL for Broadband Multicolor Optical Waveguides
Chemical Science, 2024
1572698 CIFC16 H17 N OC 1 2 120.0857; 5.8189; 14.3076
90; 128.517; 90
1308.39Pan, Xiuhong; Lan, Linfeng; Zhang, Hongyu
Flexible Organic Crystals with Multi-Stimuli-Responsive CPL for Broadband Multicolor Optical Waveguides
Chemical Science, 2024
1572699 CIFC14 H18 F6 N4 Si ZnC 2 2 2112.704; 13.535; 14.921
90; 90; 90
2565.6O’Hearn, Daniel J.; Sensharma, Debobroto; Raza, Asif; Bezrukov, Andrey A.; Vandichel, Matthias; Mukherjee, Soumya; Zaworotko, Michael
Crystal engineering of a new platform of hybrid ultramicroporous materials and their C2H2/CO2 separation properties
Chemical Science, 2024
1572700 CIFC26 H20 N4 O4 S2P 1 21/c 116.713; 8.6188; 9.356
90; 103.976; 90
1307.8Sun, Huili; Zhang, Qiang-Sheng; Wang, Zhonghao; Huang, Yan-Ting; Pan, Mei
Long-Persistent Luminescence by Host-Guest Förster Resonance Energy Transfer
Chemical Science, 2024
1572701 CIFC25 H18 N3 O7P b c a8.589; 13.184; 39.0756
90; 90; 90
4424.8Sun, Huili; Zhang, Qiang-Sheng; Wang, Zhonghao; Huang, Yan-Ting; Pan, Mei
Long-Persistent Luminescence by Host-Guest Förster Resonance Energy Transfer
Chemical Science, 2024
1572702 CIFC32 H36 Br2 N2 O4P 1 21 19.0653; 8.3658; 20.4585
90; 94.228; 90
1547.32Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming
Tether-entangled conjugated helices
Chemical Science, 2024
1572703 CIFC28 H26 N2 O2P 1 21 18.6414; 10.489; 11.9877
90; 95.388; 90
1081.76Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming
Tether-entangled conjugated helices
Chemical Science, 2024
1572704 CIFC32 H36 Br2 N2 O4P 1 21 111.676; 9.3251; 13.9069
90; 93.036; 90
1512.06Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming
Tether-entangled conjugated helices
Chemical Science, 2024
1572705 CIFC48 H48 Cl3.5 F2 N4P 43 21 215.9463; 15.9463; 35.1878
90; 90; 90
8947.7Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming
Tether-entangled conjugated helices
Chemical Science, 2024
1572706 CIFC119 H140 N8 O13P 1 21 113.8368; 22.1444; 17.5091
90; 110.064; 90
5039.3Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming
Tether-entangled conjugated helices
Chemical Science, 2024
1572707 CIFC104 H110 Br4 N10 O10P 115.9913; 19.7892; 21.961
112.136; 107.694; 95.621
5952.5Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming
Tether-entangled conjugated helices
Chemical Science, 2024
1572708 CIFC103 H104 Br4 Cl2 N10 O8C 1 2 140.326; 20.5209; 16.032
90; 110.733; 90
12407.7Jin, Ke; Xiao, Zuo; Xie, Huidong; Shen, Xingxing; Wang, Jizheng; Chen, Xiangyu; Wang, Zhijie; Zhao, Zujin; Yan, Keyou; Ding, Yong; Ding, Liming
Tether-entangled conjugated helices
Chemical Science, 2024
1572709 CIFC96 H49 Bi2 Co2 N8 O16P 21 21 241.3673; 24.2477; 9.2397
90; 90; 90
9268He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu
Boosting Photothermal Conversion through Array Aggregation of Metalloporphyrins in Bismuth-based Coordination Frameworks
Chemical Science, 2024
1572710 CIFC96 Bi2 N8 Ni2 O16P 21 21 241.7558; 24.304; 9.2689
90; 90; 90
9406.39He, Liang; He, Jing; Chen, Er-Xia; Lin, Qipu
Boosting Photothermal Conversion through Array Aggregation of Metalloporphyrins in Bismuth-based Coordination Frameworks
Chemical Science, 2024
1572714 CIFC16 H26 Ag2 N4 O13I 4/m11.321; 11.321; 9.154
90; 90; 90
1173.2Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper
A Homoleptic AgIII Complex Stabilized by Succinimidate Ligands
Chemical Science, 2024
1572715 CIFC16 H24 Ag Cs N4 O12I 4/m11.3504; 11.3504; 8.7443
90; 90; 90
1126.54Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper
A Homoleptic AgIII Complex Stabilized by Succinimidate Ligands
Chemical Science, 2024
1572716 CIFC16 H24 N4 Na2 O12 PdP -18.2595; 9.1546; 9.1795
64.956; 67.171; 87.677
573.17Larsen, Emil Mickey Hilligsøe; Brock-Nannestad, Theis; Skibsted, Jørgen; Reinholdt, Anders; Bendix, Jesper
A Homoleptic AgIII Complex Stabilized by Succinimidate Ligands
Chemical Science, 2024

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