Crystallography Open Database

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1571411 CIFC34 H39 O3 PP 21 21 219.2907; 14.7314; 21.2629
90; 90; 90
2910.15Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.
Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.
Chemical science, 2024, 15, 7136-7143
1571412 CIFC24 H21 O5 PP 21 21 218.7082; 11.7522; 20.0325
90; 90; 90
2050.14Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.
Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.
Chemical science, 2024, 15, 7136-7143
1571413 CIFC33 H24 Cl3 O3 PP 1 21/n 112.6015; 16.8085; 14.3074
90; 112.713; 90
2795.47Patra, Jatin; Nair, Akshay M.; Volla, Chandra M. R.
Expedient radical phosphonylations <i>via</i> ligand to metal charge transfer on bismuth.
Chemical science, 2024, 15, 7136-7143
1571414 CIFC12 H7 Br2 IP -17.5376; 7.932; 11.5935
82.325; 74.766; 65.24
607.1Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna
Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.
Chemical science, 2024, 15, 6770-6776
1571415 CIFC12 H7 Br Cl IP -17.5445; 7.7965; 11.5759
81.165; 73.519; 64.541
589.13Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna
Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.
Chemical science, 2024, 15, 6770-6776
1571416 CIFC13 H7 Cl OP 1 21/n 17.3449; 15.539; 8.8357
90; 104.827; 90
974.86Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna
Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.
Chemical science, 2024, 15, 6770-6776
1571417 CIFC12 H7 Br3P -17.4022; 7.8572; 11.338
83.992; 76.446; 65.073
581.33Carter Martos, Daniel; de Abreu, Maxime; Hauk, Pascal; Fackler, Philipp; Wencel-Delord, Joanna
Easy access to polyhalogenated biaryls: regioselective (di)halogenation of hypervalent bromines and chlorines.
Chemical science, 2024, 15, 6770-6776
1571419 CIFC3 H3 F3 Li N O3 SC 1 2 163.7924; 9.6005; 17.2224
90; 90.202; 90
10547.6Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
1571420 CIFC5 H9 F3 Li N O3 SP -15.544; 9.2231; 10.2431
80.255; 83.499; 86.548
512.43Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
1571421 CIFC4 H4 N2 O2 SP -15.4317; 7.1254; 8.5194
95.165; 96.669; 104.049
315.3Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
1571422 CIFC10 H19 F3 Li N O4 S2C 1 2/c 124.3674; 5.7733; 24.0521
90; 105.238; 90
3264.7Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
1571423 CIFC24 H44 F12 Li4 N4 O14 S5I 1 2/a 110.398; 19.9938; 22.173
90; 95.895; 90
4585.29Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
1571424 CIFC7 H9 Li N2 O3 SP -16.7137; 7.9569; 11.1702
98.12; 97.915; 113.035
531.3Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
Evolving better solvate electrolytes for lithium secondary batteries.
Chemical science, 2024, 15, 7342-7358
1571425 CIFC22 H27 B O3 P2P 1 21 110.778; 9.8031; 11.594
90; 117.183; 90
1089.7Li, Longlong; Yu, Kui; An, Hejun; Cai, Xinping; Song, Qiuling
Enantioselective copper-catalyzed B-H bond insertion reaction of α-diazo phosphonates to access chiral α-boryl phosphonates.
Chemical science, 2024, 15, 7130-7135
1571426 CIFC44 H50 Cl4 Cu N6 O6P -18.1744; 11.9929; 13.8763
68.678; 77.48; 81.887
1234.2Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571427 CIFC44 H50 Cl4 Mn N6 O6P 1 21/n 18.5583; 21.737; 12.8769
90; 108.475; 90
2272.1Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571428 CIFC42 H46 Cl4 Mg N6 O6P 1 21/n 18.4844; 20.9466; 12.8419
90; 107.427; 90
2177.5Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571429 CIFC42 H42 Cl4 N6 O4 ZnP -111.3205; 13.1; 15.6723
113.727; 98.624; 97.298
2058.1Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571430 CIFC42 H44 Cl4 N6 O5 ZnP 1 21/n 114.8231; 14.7787; 19.9676
90; 96.879; 90
4342.74Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571431 CIFC39 H36 Cl4 Cu N6 O4P 1 21/c 121.7971; 8.3133; 21.527
90; 90.584; 90
3900.62Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571432 CIFC42 H46 Cl4 Mn N6 O6P 1 21/n 18.5133; 20.8959; 12.8879
90; 107.409; 90
2187.65Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571433 CIFC44 H50 Cl4 Mg N6 O6P 1 21/n 18.5036; 21.7792; 12.8123
90; 108.489; 90
2250.38Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571434 CIFC42 H46 Cl4 Cu N6 O6P 1 21/n 18.1316; 10.8394; 24.3849
90; 97.503; 90
2130.92Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571435 CIFC39 H36 Cl4 N6 O4 ZnP 1 21/n 115.7556; 15.5699; 16.1773
90; 109.828; 90
3733.23Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571436 CIFC41 H42 Cl4 N6 O5 ZnP 1 21/n 114.7461; 14.5959; 19.2358
90; 97.599; 90
4103.81Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
Chemical science, 2024, 15, 7041-7050
1571438 CIFC22 H35 B21P -110.7014; 11.5495; 14.4626
96.02; 109.788; 111.822
1505.99Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.
Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.
Chemical science, 2024, 15, 7568-7575
1571439 CIFC22 H23 B11P 1 2/c 111.6463; 6.9742; 26.5047
90; 95.4; 90
2143.25Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.
Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.
Chemical science, 2024, 15, 7568-7575
1571440 CIFC16 H30 B21 BrP 1 21/c 116.7926; 11.1704; 14.4378
90; 101.45; 90
2654.34Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.
Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.
Chemical science, 2024, 15, 7568-7575
1571441 CIFC25 H36 B21 Br Cl2P 1 21/n 110.959; 15.3894; 20.917
90; 94.611; 90
3516.3Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.
Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.
Chemical science, 2024, 15, 7568-7575
1571442 CIFC24 H33 B21P b c a21.0576; 12.2737; 23.5735
90; 90; 90
6092.7Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.
Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.
Chemical science, 2024, 15, 7568-7575
1571443 CIFC18 H21 B11P 1 21/n 111.4807; 9.3411; 18.5768
90; 96.484; 90
1979.48Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.
Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.
Chemical science, 2024, 15, 7568-7575
1571444 CIFC2.57 H3.86 Cu0.14 N0.86 O0.86P 31 2 110.8811; 10.8811; 31.653
90; 90; 120
3245.6Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M; Kumar, Jatish
Engineering copper plasmonic chirality <i>via</i> ligand-induced dissolution for enantioselective recognition of amino acids.
Chemical science, 2024, 15, 7121-7129
1571445 CIFC2.571 H4.146 Cu0.143 N0.857 OP 32 2 110.9067; 10.9067; 31.97
90; 90; 120
3293.5Maniappan, Sonia; Dutta, Camelia; Cheran, Arunima; Solís, Diego M; Kumar, Jatish
Engineering copper plasmonic chirality <i>via</i> ligand-induced dissolution for enantioselective recognition of amino acids.
Chemical science, 2024, 15, 7121-7129
1571446 CIFC42 H50 N6 Ni3 O12P -110.6889; 14.1596; 15.3942
82.996; 87.336; 68.73
2155Li, Li; Zhao, Hui-Feng; Gan, Mei-Xing; Zhang, Tao; Li, Jia-Ning; Tao, Shi; Peng, Jing; Yu, Hai-Bin; Peng, Xu
Amorphous conversion in pyrolytic symmetric trinuclear nickel clusters trigger trifunctional electrocatalysts.
Chemical science, 2024, 15, 7689-7697
1571447 CIFC16 H13 Br2 N OP 1 21/m 18.6747; 6.9706; 12.3186
90; 107.234; 90
711.44Stoerkler, Timothée; Ulrich, Gilles; Retailleau, Pascal; Laurent, Adèle D; Jacquemin, Denis; Massue, Julien
Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2'-hydroxyphenyl)-3,3'-dimethylindole (HDMI) scaffold.
Chemical science, 2024, 15, 7206-7218
1571448 CIFC26 H21 N3 OP -18.50238; 10.0282; 12.6916
70.6975; 89.7069; 85.8279
1018.39Stoerkler, Timothée; Ulrich, Gilles; Retailleau, Pascal; Laurent, Adèle D; Jacquemin, Denis; Massue, Julien
Experimental and theoretical comprehension of ESIPT fluorophores based on a 2-(2'-hydroxyphenyl)-3,3'-dimethylindole (HDMI) scaffold.
Chemical science, 2024, 15, 7206-7218
1571449 CIFC18 H16 Br2 N2 O3P b c a8.3326; 12.8054; 32.7329
90; 90; 90
3492.67Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu
Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.
Chemical science, 2024, 15, 7603-7609
1571450 CIFC36 H30 N4 Ni O6P 1 21/c 119.513; 3.9317; 18.474
90; 96.947; 90
1406.9Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu
Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.
Chemical science, 2024, 15, 7603-7609
1571451 CIFC36 H30 Br4 N4 Ni O6P 1 21/n 18.9821; 31.6135; 12.7862
90; 90.976; 90
3630.19Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu
Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.
Chemical science, 2024, 15, 7603-7609
1571452 CIFC54.67 H68.67 N4 Ni O6.67P -113.0251; 13.0786; 22.9482
95.536; 105.627; 95.81
3714Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu
Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.
Chemical science, 2024, 15, 7603-7609
1571453 CIFC48 H32 Cl2 F2 N4 O4 U2P n n a15.7599; 17.6063; 15.3755
90; 90; 90
4266.3Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.
The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.
Chemical science, 2024, 15, 6965-6978
1571454 CIFC48 H32 Cl2 N4 O2 UP 21 21 2112.2797; 12.7824; 24.6681
90; 90; 90
3872Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.
The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.
Chemical science, 2024, 15, 6965-6978
1571455 CIFC28 H24 Cl2 N2 O3 UP 1 21/n 19.0602; 18.1719; 15.7262
90; 97.135; 90
2569.13Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.
The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.
Chemical science, 2024, 15, 6965-6978
1571456 CIFC60 H42 Cl6 N4 O4 U2C 1 2/c 114.4589; 26.3459; 14.4152
90; 89.399; 90
5490.92Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.
The effect of ancillary ligands on hydrocarbon C-H bond functionalization by uranyl photocatalysts.
Chemical science, 2024, 15, 6965-6978
1571459 CIFC36 H18 Ni4 O19P -17.0744; 13.6038; 20.6602
98.903; 96.002; 101.59
1905.31Sikdar, Nivedita; Laha, Subhajit; Jena, Rohan; Dey, Anupam; Rahimi, Faruk Ahamed; Maji, Tapas Kumar
An adsorbate biased dynamic 3D porous framework for inverse CO<sub>2</sub> sieving over C<sub>2</sub>H<sub>2</sub>.
Chemical science, 2024, 15, 7698-7706
1571460 CIFC44 H68 N2 S4 ZnP 43 21 215.6496; 15.6496; 18.1435
90; 90; 90
4443.5Seo, W. T. Michael; Riffel, Madeline N.; Oliver, Allen G.; Tsui, Emily Y.
Metal-cation-induced shifts in thiolate redox and reduced sulfur speciation.
Chemical science, 2024, 15, 7332-7341
1571472 CIFC28 H21 N O4P 21 21 2112.28419; 13.47791; 13.8303
90; 90; 90
2289.82Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien
Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.
Chemical science, 2024, 15, 7300-7307
1571473 CIFC54 H38 N2 O10P n a 2115.4716; 10.1507; 27.2357
90; 90; 90
4277.3Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien
Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.
Chemical science, 2024, 15, 7300-7307
1571474 CIFC27 H18 Cl N O4P 1 21/c 115.316; 9.2552; 16.7635
90; 112.958; 90
2188.05Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien
Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.
Chemical science, 2024, 15, 7300-7307
1571475 CIFC27 H19 N O4P -18.7947; 9.7683; 13.675
78.591; 74.221; 66.162
1028.93Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien
Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.
Chemical science, 2024, 15, 7300-7307

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