Crystallography Open Database

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7133078 CIFC14 H11 N O S2P -19.6697; 10.5598; 13.8151
93.577; 100.035; 113.048
1264.85Wakabayashi, Ryota; Wang, Shuo; Kurogi, Takashi; Yorimitsu, Hideki
Arylation of benzazoles at the 4 positions by activation of their 2-methylsulfinyl groups
Chemical Communications, 2024
7133079 CIFC21 H16 N4 O5 Ru SP b c a10.1221; 16.1027; 25.1176
90; 90; 90
4094yang, jing; Zhan, Shaoqi; Wang, Linqin; Yang, Hao; Duan, Lele; Fan, Xiaolei; Liu, Tianqi; Sun, Licheng
Adaptive water oxidation catalysis on a carboxylate-sulfonate ligand with low onset potential
Chemical Communications, 2024
7133080 CIFC54 H58 B2 N6 O2 S2P 1 21/c 120.704; 6.2953; 18.9378
90; 108.615; 90
2339.2Fukami, Shuhei; Mori, Shigeki; Harada, Takunori; Shimizu, Soji
Far-red fluorescence and chiroptical properties of pyrrolopyrrole aza-BODIPYs induced by the B,O-chelation
Chemical Communications, 2024
7133081 CIFC38 H46 B2 F4 N6 S4P -17.7011; 11.6851; 11.8911
75.307; 71.596; 76.096
967.05Fukami, Shuhei; Mori, Shigeki; Harada, Takunori; Shimizu, Soji
Far-red fluorescence and chiroptical properties of pyrrolopyrrole aza-BODIPYs induced by the B,O-chelation
Chemical Communications, 2024
7133082 CIFC25 H22 Br N3 OP 1 21/c 15.946; 22.981; 16.1913
90; 96.653; 90
2197.56Fall, Arona; Magdei, Mihaela; Savchuk, Mariia; Oudeyer, Sylvain; Beucher, Hélène; Brière, Jean-François
Iron-catalyzed decarboxylative radical addition to chiral azomethine imines upon visible light
Chemical Communications, 2024
7133083 CIFC26 H25 N3 O2P 1 21/c 116.9362; 10.0156; 27.6433
90; 106.283; 90
4500.94Fall, Arona; Magdei, Mihaela; Savchuk, Mariia; Oudeyer, Sylvain; Beucher, Hélène; Brière, Jean-François
Iron-catalyzed decarboxylative radical addition to chiral azomethine imines upon visible light
Chemical Communications, 2024
7133084 CIFAl B3 Cl Cs O6P -3 c 17.0716; 7.0716; 18.0458
90; 90; 120
781.52Liu, Haoran; Jiao, Jiahao; Tudi, Abudukadi; Liu, Qingyu; Yang, Zhihua; Pan, Shilie; Zhang, Min
CsAlB3O6Cl: The rational construction of a KBBF-type structure with aligned 2∞ [AlB3O6Cl] layers via introducing unprecedented [AlO3Cl] tetrahedra
Chemical Communications, 2024
7133085 CIFC6 I3 N PbP n m a7.8521; 11.3081; 15.9901
90; 90; 90
1419.8Möbs, Jakob; Tomori, Ajna; Heine, Johanna
Formation of iminium ions during the processing of metal halide perovskites.
Chemical communications (Cambridge, England), 2024
7133086 CIFC5 H12 I NI 4/m7.3846; 7.3846; 7.2299
90; 90; 90
394.263Möbs, Jakob; Tomori, Ajna; Heine, Johanna
Formation of iminium ions during the processing of metal halide perovskites.
Chemical communications (Cambridge, England), 2024
7133087 CIFC5 H12 I3 N PbP 63/m16.745; 16.745; 8.387
90; 90; 120
2036.6Möbs, Jakob; Tomori, Ajna; Heine, Johanna
Formation of iminium ions during the processing of metal halide perovskites.
Chemical communications (Cambridge, England), 2024
7133088 CIFC5 H12 I3 N PbP 63/m16.4064; 16.4064; 8.3883
90; 90; 120
1955.38Möbs, Jakob; Tomori, Ajna; Heine, Johanna
Formation of iminium ions during the processing of metal halide perovskites.
Chemical communications (Cambridge, England), 2024
7133089 CIFC84 H62 N2 O12 S8C 1 c 127.458; 23.377; 11.615
90; 90.454; 90
7455Du, Zhenglin; Xie, Jialin; Liu, Yandie; Tang, Yisong; Chen, Qing; Li, Xia; Zhu, Kelong
A π-Extended Molecular Belt with Selective Binding Capability for Fullerene C70
Chemical Communications, 2024
7133090 CIFC142 H52 O8 S8P 1 21/n 117.1449; 33.6954; 21.4769
90; 92.559; 90
12394.9Du, Zhenglin; Xie, Jialin; Liu, Yandie; Tang, Yisong; Chen, Qing; Li, Xia; Zhu, Kelong
A π-Extended Molecular Belt with Selective Binding Capability for Fullerene C70
Chemical Communications, 2024
7133091 CIFC30 H32 N2 O6P -110.405; 10.991; 12.216
109.33; 91.872; 104.146
1268.4Songsermsawad, Sarita; Shemchuk, Oleksii; Robeyns, Koen; Collard, Laurent; Flood, Adrian; Leyssens, Tom
Simultaneously resolving BINOL and proline using a stoichiometric cocrystal switch.
Chemical Communications, 2024
7133092 CIFC45 H37 N O6P 21 21 219.12901; 13.7793; 27.6456
90; 90; 90
3477.58Songsermsawad, Sarita; Shemchuk, Oleksii; Robeyns, Koen; Collard, Laurent; Flood, Adrian; Leyssens, Tom
Simultaneously resolving BINOL and proline using a stoichiometric cocrystal switch.
Chemical Communications, 2024
7133093 CIFC10 H20 Cu2 N5I b a m14.9083; 8.1008; 12.162
90; 90; 90
1468.79Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo
Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes
Chemical Communications, 2024
7133094 CIFC10 H20 Cu2 N5I b a m14.8851; 8.1225; 12.2203
90; 90; 90
1477.49Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo
Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes
Chemical Communications, 2024
7133095 CIFC10 H20 Cu2 N5I b a m14.7778; 8.2376; 12.5337
90; 90; 90
1525.77Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo
Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes
Chemical Communications, 2024
7133096 CIFC10 H20 Cu2 N5I b a m14.8065; 8.2051; 12.4448
90; 90; 90
1511.9Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo
Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes
Chemical Communications, 2024
7133097 CIFC10 H20 Cu2 N5I b a m14.8624; 8.1463; 12.2872
90; 90; 90
1487.66Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo
Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes
Chemical Communications, 2024
7133098 CIFC10 H20 Cu2 N5I b a m14.8279; 8.1752; 12.366
90; 90; 90
1499.02Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo
Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes
Chemical Communications, 2024
7133099 CIFC10 H20 Cu2 N5I b a m14.7531; 8.2731; 12.6466
90; 90; 90
1543.57Iwai, Yuudai; Nakaya, Manabu; Tsuji, Yuta; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo
Giant anisotropic thermal expansion of copper–cyanido flat layers with flexible copper nodes
Chemical Communications, 2024
7133100 CIFC27 H17 N O3P b c a7.3843; 20.0427; 24.5666
90; 90; 90
3635.89Tanioka, Masaru; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro
Nonpolar selective emission (NPSE) of carbonyl-bridged rhodols
Chemical Communications, 2024
7133101 CIFC56 H32 F6 N2 O6P -110.994; 11.0404; 17.6631
83.512; 80.77; 72.972
2018.43Tanioka, Masaru; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro
Nonpolar selective emission (NPSE) of carbonyl-bridged rhodols
Chemical Communications, 2024
7133102 CIFC32 H19 N O3P b c a7.75825; 18.8157; 31.7145
90; 90; 90
4629.58Tanioka, Masaru; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro
Nonpolar selective emission (NPSE) of carbonyl-bridged rhodols
Chemical Communications, 2024
7133103 CIFC44 H32 Fe N10P -19.8316; 10.568; 17.2201
81.653; 83.058; 85.688
1754.2Sung, Yu-Shien; Tomat, Elisa
Quinoline-based tetrazolium prochelators: formazan release, iron sequestration, and antiproliferative efficacy in cancer cells.
Chemical communications (Cambridge, England), 2024
7133104 CIFC26 H25 N O5P 21 21 215.0705; 19.7168; 21.861
90; 90; 90
2185.53Yang, Yang; Yang, Chenchen; Zhu, Xuefeng; Zhang, Li; Liu, Minghua
Interfacial Self-Assembly of Chiral Pyrene Exciplex into Superhelix with Enhanced Circularly Polarized Luminescence
Chemical Communications, 2024
7133105 CIFC68 H58 Cu2 N6 O16C 1 2/c 132.307; 14.1238; 16.6531
90; 97.426; 90
7535Saura-Sanmartin, Adrian; Cutillas-Font, Guillermo; Martinez-Cuezva, Alberto; Alajarin, Mateo; Esteban-Betegon, Fatima; Pena-Sánchez, Pilar; Gándara, Felipe; Berna, Jose
Mechanical bonding of rigid MORFs using a tetratopic rotaxane
Chemical Communications, 2024
7133106 CIFC68 H60 Co2 N6 O19P n m a16.795; 33.97; 13.8988
90; 90; 90
7929.6Saura-Sanmartin, Adrian; Cutillas-Font, Guillermo; Martinez-Cuezva, Alberto; Alajarin, Mateo; Esteban-Betegon, Fatima; Pena-Sánchez, Pilar; Gándara, Felipe; Berna, Jose
Mechanical bonding of rigid MORFs using a tetratopic rotaxane
Chemical Communications, 2024
7133107 CIFC33 H25 N OP -15.82; 9.093; 23.432
79.032; 87.963; 78.447
1192.7Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Yi, Wei; Gao, Yang; Hu, Xiao-Qiang
Expedient Access to Polysubstituted Acrylamides via Strain-Release-Driven Dual Phosphine and Palladium Catalysis
Chemical Communications, 2024
7133108 CIFC35 H27 Cl2 N O2P 1 21/c 112.4215; 27.311; 9.588
90; 112.62; 90
3002.5Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Yi, Wei; Gao, Yang; Hu, Xiao-Qiang
Expedient Access to Polysubstituted Acrylamides via Strain-Release-Driven Dual Phosphine and Palladium Catalysis
Chemical Communications, 2024
7133109 CIFC29 H23 N O3P 1 21/c 111.302; 22.17; 9.91
90; 107.88; 90
2363Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Yi, Wei; Gao, Yang; Hu, Xiao-Qiang
Expedient Access to Polysubstituted Acrylamides via Strain-Release-Driven Dual Phosphine and Palladium Catalysis
Chemical Communications, 2024
7133110 CIFC27 H25 F3 O5 SP n a 2130.2694; 7.47312; 21.66
90; 90; 90
4899.64Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori
Crystallographic and spectroscopic studies on persistent triarylpropargyl cations
Chemical Communications, 2024
7133111 CIFC25 H19 F3 O4 SC 1 c 17.3296; 14.8403; 19.798
90; 99.989; 90
2120.85Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori
Crystallographic and spectroscopic studies on persistent triarylpropargyl cations
Chemical Communications, 2024
7133112 CIFC24 H19 B F4 OP 1 21/n 16.8567; 19.3806; 14.5799
90; 93.309; 90
1934.25Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori
Crystallographic and spectroscopic studies on persistent triarylpropargyl cations
Chemical Communications, 2024
7133113 CIFC26 H19 F6 N O5 S2P -17.7877; 13.5269; 14.2246
115.433; 102.323; 95.02
1294.53Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori
Crystallographic and spectroscopic studies on persistent triarylpropargyl cations
Chemical Communications, 2024
7133114 CIFC26 H19 F6 N O5 S2P -114.2426; 14.5647; 15.1706
117.808; 98.1608; 104.991
2558.64Shimajiri, Takuya; Tsue, Taiga; Koakutsu, Shumpei; Ishigaki, Yusuke; Suzuki, Takanori
Crystallographic and spectroscopic studies on persistent triarylpropargyl cations
Chemical Communications, 2024
7133115 CIFC17 H11 F3 N2 O4P -19.7758; 10.513; 11.2193
90.001; 112.552; 105.12
1021.51Wang, Manqing; Xu, Yuanshuang; Hou, Huihang; Zhang, Xinying; Fan, Xuesen
Divergent synthesis of pyrrolizine derivatives through C−H bond functionalization of pyrroles
Chemical Communications, 2024
7133116 CIFC17 H15 F3 N2 O3P 1 21/c 110.9356; 17.2071; 9.5578
90; 113.916; 90
1644.07Wang, Manqing; Xu, Yuanshuang; Hou, Huihang; Zhang, Xinying; Fan, Xuesen
Divergent synthesis of pyrrolizine derivatives through C−H bond functionalization of pyrroles
Chemical Communications, 2024
7133117 CIFC39 H50 N PP -110.7562; 13.4826; 14.1323
115.435; 107.508; 96.665
1692Wittwer, Benjamin; Heim, Florian; Wurst, Klaus; Hohloch, Stephan
A Bridging Bis-Phosphanido-Phosphinidene Complex of Lanthanum Supported by a Sterically Encumbering PN Ligand
Chemical Communications, 2024
7133118 CIFC33 H36 Br NP 1 21/c 110.4197; 14.0561; 18.9616
90; 100.363; 90
2731.82Wittwer, Benjamin; Heim, Florian; Wurst, Klaus; Hohloch, Stephan
A Bridging Bis-Phosphanido-Phosphinidene Complex of Lanthanum Supported by a Sterically Encumbering PN Ligand
Chemical Communications, 2024
7133119 CIFC109 H143 La2 N2 O P5P -115.498; 16.566; 22.288
76.309; 70.924; 69.957
5030.1Wittwer, Benjamin; Heim, Florian; Wurst, Klaus; Hohloch, Stephan
A Bridging Bis-Phosphanido-Phosphinidene Complex of Lanthanum Supported by a Sterically Encumbering PN Ligand
Chemical Communications, 2024
7133120 CIFC47 H69 K N O2 PP 1 21/n 111.463; 16.2623; 24.992
90; 97.374; 90
4620.3Wittwer, Benjamin; Heim, Florian; Wurst, Klaus; Hohloch, Stephan
A Bridging Bis-Phosphanido-Phosphinidene Complex of Lanthanum Supported by a Sterically Encumbering PN Ligand
Chemical Communications, 2024
7133121 CIFC164 H216 Cl10 K2 La4 N4 O2 P4P -112.833; 16.681; 21.1112
98.117; 100.137; 108.631
4120Wittwer, Benjamin; Heim, Florian; Wurst, Klaus; Hohloch, Stephan
A Bridging Bis-Phosphanido-Phosphinidene Complex of Lanthanum Supported by a Sterically Encumbering PN Ligand
Chemical Communications, 2024
7133122 CIFC85.6 H117 Cl La N2 O1.9 P2P 1 21/c 120.5986; 24.7411; 32.569
90; 95.767; 90
16514.2Wittwer, Benjamin; Heim, Florian; Wurst, Klaus; Hohloch, Stephan
A Bridging Bis-Phosphanido-Phosphinidene Complex of Lanthanum Supported by a Sterically Encumbering PN Ligand
Chemical Communications, 2024
7133123 CIFC11 H11 N9 OP 1 21/c 16.4786; 15.6097; 13.6164
90; 100.478; 90
1354.05Liu, Ziwei; Jiang, Clancy Zhijian; Bond, Andrew David; Tosca, Nicholas J.; Sutherland, John
Manganese (II) promotes prebiotically plausible non-enzymatic RNA ligation reactions
Chemical Communications, 2024
7133124 CIFC46 H48 Br2 N2 O6 S4P -113.3806; 13.864; 15.8118
114.886; 90.41; 117.953
2272.67Li, Jia; Li, Liang; Mao, Mingming; Li, Rui-Peng; Huo, Xing; Tang, Shouchu
Site-Selective Synthesis of Indanyl-Substituted Indole Derivatives via 1,3-Dithiane induced Nazarov cyclization
Chemical Communications, 2024
7133125 CIFC165 H129 Ce4 N39 O27P -122.747; 25.744; 26.168
82.095; 83.235; 63.886
13601Zhao, Lehua; Zhang, Yu; Wang, Huali; Wang, Jing; He, Cheng; Zhao, Liang; Duan, Chunying
Isolation of copper photocatalyst on metal–organic cage for the sulfonylation of aryl halides by visible-light mediated C(sp2)–S cross-coupling
Chemical Communications, 2024
7133126 CIFC27 H23 F Ge OP -19.8789; 11.0575; 11.8202
106.201; 104.242; 105.035
1124.69Lu, Xiao-Yu; Qian, Yu-Jun; Sun, Hai-Lun; Su, Meng-Xue; Wang, Zi-Zhen; Jiang, Fang; Sun, Yan-Xi; Zhou, Xin-Yue; Shi, Wan-Li; Wan, Ji-Ru
Photoinduced decarboxylative germylation of α-fluoroacrylic acids: Access to germylated monofluoroalkenes
Chemical Communications, 2024
7133127 CIFC14 H16 N4 O5P 1 21/n 113.8775; 7.5913; 15.0147
90; 116.937; 90
1410.2Al-Rahal, Okba; Ferguson, Michael; Lennox, Cameron B.; Male, Louise; Friščić, Tomislav
Structure of the Caffeine-Pyrogallol Complex: Revisiting a Pioneering Structural Analysis of a Model Pharmaceutical Cocrystal
Chemical Communications, 2024

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