Crystallography Open Database

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7241649 CIFC17 H17 N3 O5 SP 1 21/n 17.1176; 16.5556; 14.6211
90; 98.965; 90
1701.85Cioc, Răzvan C.; Lutz, Martin; Pidko, Evgeny A.; Crockatt, Marc; van der Waal, Jan C.; Bruijnincx, Pieter C. A.
Direct Diels‒Alder reactions of furfural derivatives with maleimides
Green Chemistry, 2021, 23, 367-373
7241884 CIFC10 H7 I N2 O SP 1 21/c 17.7399; 13.3332; 10.8147
90; 95.823; 90
1110.29Lu, Fangling; Zhang, Kan; Yao, Yanxiu; Yin, Ying; Chen, Jiafu; Zhang, Xinwei; Wang, Yin; Lu, Lijun; Gao, Ziwei; Lei, Aiwen
Electrochemical oxidative thiocyanation and amination of enaminones towards the synthesis of multi-substituted alkenes
Green Chemistry, 2021, 23, 763-766
7241885 CIFC9 H12 O5P 1 21/c 110.7742; 7.035; 12.0329
90; 101.619; 90
893.36Kirchhecker, Sarah; Dell'Acqua, Andrea; Angenvoort, Astrid; Spannenberg, Anke; Ito, Kenji; Tin, Sergey; Taden, Andreas; de Vries, Johannes G.
HMF‒glycerol acetals as additives for the debonding of polyurethane adhesives
Green Chemistry, 2021, 23, 957-965
7241886 CIFC20 H11 F5 O5 S4P -17.7476; 18.5104; 23.642
72.297; 85.352; 85.778
3215.1Cai, Song-Zhou; Ge, Danhua; Sun, Li-Wen; Rao, Weidong; Wang, Xin; Shen, Zhi-Liang; Chu, Xue-Qiang
Three-component heteroannulation for tetrasubstituted furan construction enabled by successive defluorination and dual sulfonylation relay
Green Chemistry, 2021, 23, 935-941
7241887 CIFC15 H16 F2 N2 OP 1 21/c 19.8524; 12.043; 12.4397
90; 112.982; 90
1358.85Niu, Kaikai; Hao, Yanke; Song, Lingyun; Liu, Yuxiu; Wang, Qingmin
Electro-oxidative C‒H alkylation of quinoxalin-2(1H)-ones with organoboron compounds
Green Chemistry, 2021, 23, 302-306
7241930 CIFC41 H49 Cl6 Cu N2P 1 21/c 110.624; 23.227; 17.226
90; 97.34; 90
4215.9Cervantes-Reyes, Alejandro; Farshadfar, Kaveh; Rudolph, Matthias; Rominger, Frank; Schaub, Thomas; Ariafard, Alireza; Hashmi, A. Stephen K.
Copper-catalysed synthesis of α-alkylidene cyclic carbonates from propargylic alcohols and CO2
Green Chemistry, 2021, 23, 889-897
7241931 CIFC18 H16 O4C 1 2/c 133.614; 6.0727; 14.459
90; 93.236; 90
2946.8Cervantes-Reyes, Alejandro; Farshadfar, Kaveh; Rudolph, Matthias; Rominger, Frank; Schaub, Thomas; Ariafard, Alireza; Hashmi, A. Stephen K.
Copper-catalysed synthesis of α-alkylidene cyclic carbonates from propargylic alcohols and CO2
Green Chemistry, 2021, 23, 889-897
7242054 CIFC24 H19 N O3P -19.099; 12.6543; 17.4953
69.761; 87.356; 78.198
1849.4Kong, Yanyan; Kim, Jung Keun; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Wu, Yangjie
An oxidant- and catalyst-free electrooxidative cross-coupling approach to 3-tetrahydroisoquinoline substituted coumarins
Green Chemistry, 2021, 23, 1274-1279
7242055 CIFC24 H20 N2 O2P 1 21/n 18.6666; 23.4805; 9.5853
90; 102.461; 90
1904.62Kong, Yanyan; Kim, Jung Keun; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Wu, Yangjie
An oxidant- and catalyst-free electrooxidative cross-coupling approach to 3-tetrahydroisoquinoline substituted coumarins
Green Chemistry, 2021, 23, 1274-1279
7242064 CIFC24 H27 Br3 N6R 3 m :H16.647; 16.647; 7.749
90; 90; 120
1859.7Ma, Shuai; Cui, Jing-Wang; Rao, Cai-Hui; Jia, Meng-Ze; Chen, Yun-Rui; Zhang, Jie
Boosting activity of molecular oxygen by pyridinium-based photocatalysts for metal-free alcohol oxidation
Green Chemistry, 2021, 23, 1337-1343
7242065 CIFC12 H6 F N O3P -14.7015; 7.5668; 13.7164
100.964; 91.553; 102.63
466.26Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu
Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water
Green Chemistry, 2021, 23, 1136-1139
7242066 CIFC14 H12 F N O4 SP -16.182; 7.343; 15.4344
97.694; 93.323; 97.422
686.49Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu
Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water
Green Chemistry, 2021, 23, 1136-1139
7242067 CIFC13 H9 N O4C 1 2/c 128.1572; 11.7989; 6.8522
90; 107.682; 90
2168.92Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu
Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water
Green Chemistry, 2021, 23, 1136-1139
7242068 CIFC13 H8 F N O3P -17.7844; 7.8633; 9.9225
71.839; 82.19; 67.855
534.42Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu
Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water
Green Chemistry, 2021, 23, 1136-1139
7242069 CIFC14 H11 N O3P 1 21/c 14.6906; 14.7537; 16.5416
90; 97.187; 90
1135.75Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu
Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water
Green Chemistry, 2021, 23, 1136-1139
7242070 CIFC13 H8 Br N O3P 1 21/c 14.70525; 13.1424; 18.3356
90; 96.343; 90
1126.9Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu
Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water
Green Chemistry, 2021, 23, 1136-1139
7242071 CIFC13 H9 N O3P -17.6718; 7.8925; 10.0037
71.388; 80.879; 66.502
526.1Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu
Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water
Green Chemistry, 2021, 23, 1136-1139
7242072 CIFC14 H11 N O5P 1 21/n 114.4314; 4.4645; 18.5538
90; 90.744; 90
1195.3Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu
Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water
Green Chemistry, 2021, 23, 1136-1139
7242118 CIFC36 H46 Mn3 N10 O16P 1 21/n 113.2958; 10.0194; 16.6456
90; 106.404; 90
2127.2Asghar, Aisha; Iqbal, Naseem; Noor, Tayyaba; Kariuki, Benson M.; Kidwell, Luke; Easun, Timothy L.
Efficient electrochemical synthesis of a manganese-based metal‒organic framework for H2 and CO2 uptake
Green Chemistry, 2021, 23, 1220-1227
7242119 CIFC11 H11 Mn N O5P 1 21/c 113.4484; 10.1799; 17.656
90; 90.271; 90
2417.14Asghar, Aisha; Iqbal, Naseem; Noor, Tayyaba; Kariuki, Benson M.; Kidwell, Luke; Easun, Timothy L.
Efficient electrochemical synthesis of a manganese-based metal‒organic framework for H2 and CO2 uptake
Green Chemistry, 2021, 23, 1220-1227
7242163 CIFC15 H22 N2 O4P b c a9.448; 11.423; 30.49
90; 90; 90
3291Morita, Shunya; Yoshimura, Tomoyuki; Matsuo, Jun-ichi
Catalytic intermolecular aldol reactions of transient amide enolates in domino Michael/aldol reactions of nitroalkanes, acrylamides, and aldehydes
Green Chemistry, 2021, 23, 1160-1164
7242201 CIFC21 H32 Cl N O2 RuP 1 21/n 114.7118; 9.3818; 14.7793
90; 91.266; 90
2039.39Phearman, Alexander S.; Moore, Jewelianna M.; Bhagwandin, Dayanni D.; Goldberg, Jonathan M.; Heinekey, D. Michael; Goldberg, Karen I.
(Hexamethylbenzene)Ru catalysts for the Aldehyde-Water Shift reaction
Green Chemistry, 2021, 23, 1609-1615
7242202 CIFC25 H36 B2 O4P 1 21/n 16.5462; 27.28; 14.4106
90; 90.549; 90
2573.3Zhang, Yahui; Zhao, Xiangyu; Bi, Ce; Lu, Wenqi; Song, Mengyuan; Wang, Dongdong; Qing, Guangyan
Selective electrocatalytic hydroboration of aryl alkenes
Green Chemistry, 2021, 23, 1691-1699
7242218 CIFC10 H11 Cl F3 N O2P -15.6416; 5.8788; 18.0049
95.374; 95.693; 96.475
587.08Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.
A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones
Green Chemistry, 2021, 23, 2336-2351
7242219 CIFC12 H16 Cl N O2P 1 21/c 16.099; 7.7041; 25.2722
90; 94.075; 90
1184.47Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.
A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones
Green Chemistry, 2021, 23, 2336-2351
7242220 CIFC10 H13 N O2P 1 21/c 15.7769; 7.6286; 21.5338
90; 96.167; 90
943.5Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.
A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones
Green Chemistry, 2021, 23, 2336-2351
7242221 CIFC8 H8 N2 O2C 1 2/c 118.9356; 3.81317; 21.672
90; 101.702; 90
1532.29Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.
A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones
Green Chemistry, 2021, 23, 2336-2351
7242222 CIFC12 H14 Cl N O2P -15.7548; 10.5744; 10.5916
110.243; 102.912; 100.879
563.94Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.
A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones
Green Chemistry, 2021, 23, 2336-2351
7242223 CIFC11 H13 N O2P 1 21/c 19.0379; 10.044; 11.0835
90; 99.123; 90
993.4Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.
A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones
Green Chemistry, 2021, 23, 2336-2351
7242224 CIFC7 H12 O6P -17.6334; 8.7609; 14.2366
81.705; 88.677; 73.562
903.45Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.
A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones
Green Chemistry, 2021, 23, 2336-2351
7242249 CIFC20 H19 N5 OP 1 21/n 16.7011; 9.1071; 28.951
90; 92.176; 90
1765.5Akulov, Alexey A.; Varaksin, Mikhail V.; Tsmokalyuk, Anton N.; Charushin, Valery N.; Chupakhin, Oleg N.
Blue-light-promoted radical C‒H azolation of cyclic nitrones enabled by Selectfluor®
Green Chemistry, 2021, 23, 2049-2057
7242297 CIFC7 H6 Cl N O2C 1 2/c 115.5231; 3.8267; 23.9744
90; 93.432; 90
1421.58Li, Yiming; Wang, Yuhong; Yang, Tilong; Lin, Zhenyang; Jiang, Xuefeng
Selenium-catalyzed intramolecular atom- and redox-economical transformation of o-nitrotoluenes into anthranilic acids
Green Chemistry, 2021, 23, 2986-2991
7242298 CIFC17 H26 N2 O4P 21 21 217.9048; 11.2276; 19.3205
90; 90; 90
1714.73Li, Yiming; Wang, Yuhong; Yang, Tilong; Lin, Zhenyang; Jiang, Xuefeng
Selenium-catalyzed intramolecular atom- and redox-economical transformation of o-nitrotoluenes into anthranilic acids
Green Chemistry, 2021, 23, 2986-2991
7242323 CIFC19 H18 N2 O2P 1 21/n 110.6894; 10.6948; 13.7194
90; 91.046; 90
1568.2Xu, Jun; Huang, Lin; He, Lei; Ni, Zhigang; Shen, Jiabin; Li, Xiaoling; Chen, Kaixian; Li, Wanmei; Zhang, Pengfei
A combination of heterogeneous catalysis and photocatalysis for the olefination of quinoxalin-2(1H)-ones with ketones in water: a green and efficient route to (Z)-enaminones
Green Chemistry, 2021, 23, 2123-2129
7242329 CIFC17 H18 O3 SP 1 21/n 115.40316; 7.20606; 15.43887
90; 116.871; 90
1528.62Du, Wu-Bo; Wang, Ning-Ning; Pan, Chao; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao
Regio- and stereoselective electrochemical synthesis of sulfonylated enethers from alkynes and sulfonyl hydrazides
Green Chemistry, 2021, 23, 2420-2426
7242330 CIFC16 H14 O2 SP 21 21 218.5976; 10.8141; 15.2294
90; 90; 90
1416Du, Wu-Bo; Wang, Ning-Ning; Pan, Chao; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao
Regio- and stereoselective electrochemical synthesis of sulfonylated enethers from alkynes and sulfonyl hydrazides
Green Chemistry, 2021, 23, 2420-2426
7242405 CIFC36 H32 Br2 N6 O4 S2P b c a15.138; 10.099; 22.516
90; 90; 90
3442.2Jiang, Shuai; Cao, Wen-Bin; Li, Hai-Yan; Xu, Xiao-Ping; Ji, Shun-Jun
Convenient synthesis of spiroindolenines from tryptamine-derived isocyanides and organic azides by cobalt catalysis in pure water
Green Chemistry, 2021, 23, 2619-2623
7242512 CIFC25 H22 Cl N O4 SP -112.3598; 12.8606; 15.4574
81.976; 75.455; 70.669
2239.9Liu, Chengkou; Lin, Yang; Cai, Chen; Yuan, Chengcheng; Fang, Zheng; Guo, Kai
Continuous-flow electro-oxidative coupling of sulfides with activated methylene compounds leading to sulfur ylides
Green Chemistry, 2021, 23, 2956-2961
7242526 CIFC38 H49 Bi O8P -112.5878; 12.6544; 13.1098
106.319; 105.558; 107.521
1763.44Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian
Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds
Green Chemistry, 2021, 23, 2747-2755
7242527 CIFC54 H96 Bi2 Li4 N2 O20P 1 21/n 113.3571; 14.0806; 18.593
90; 95.0534; 90
3483.3Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian
Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds
Green Chemistry, 2021, 23, 2747-2755
7242528 CIFC58 H102 Bi2 Li4 N4 O20P 1 21/n 116.1427; 13.2582; 18.584
90; 110.087; 90
3735.47Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian
Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds
Green Chemistry, 2021, 23, 2747-2755
7242529 CIFC64 H116 Bi2 Li4 N2 O20P 1 21/n 114.3713; 17.9791; 15.3608
90; 92.508; 90
3965.17Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian
Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds
Green Chemistry, 2021, 23, 2747-2755
7242530 CIFC106 H119 Bi2 Li4 N3 O20P 1 21/c 124.0601; 18.8535; 22.3563
90; 92.989; 90
10127.4Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian
Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds
Green Chemistry, 2021, 23, 2747-2755
7242531 CIFC104 H116 Bi2 Li4 N2 O20P 1 21/c 124.7978; 16.4792; 24.6871
90; 103.624; 90
9804.5Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian
Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds
Green Chemistry, 2021, 23, 2747-2755
7242532 CIFC24 H18 F3 N3 O2P 4/n :224.437; 24.437; 7.3579
90; 90; 90
4393.9Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin
Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations
Green Chemistry, 2021, 23, 2944-2949
7242533 CIFC23 H19 N3 O SP 1 21/n 18.754; 18.911; 11.952
90; 104.763; 90
1913.3Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin
Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations
Green Chemistry, 2021, 23, 2944-2949
7242534 CIFC23 H14 N3 O SP -113.632; 13.694; 22.48
98.57; 95.81; 92.8
4120Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin
Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations
Green Chemistry, 2021, 23, 2944-2949
7242571 CIFC32 H46 Cu2 Ge N12 O48 W12C 1 m 112.5419; 22.4521; 11.6246
90; 109.951; 90
3076.9Shen, Qingbo; Gómez-García, Carlos J.; Sun, Wenlong; Lai, Xiaoyong; Pang, Haijun; Ma, Huiyuan
Improving the photocatalytic H2 evolution activity of Keggin polyoxometalates anchoring copper-azole complexes
Green Chemistry, 2021, 23, 3104-3114
7242572 CIFC36 H32 Cu5 Ge N30 O44 W12P -112.203; 13.495; 14.262
104.873; 111.48; 105.681
1931.3Shen, Qingbo; Gómez-García, Carlos J.; Sun, Wenlong; Lai, Xiaoyong; Pang, Haijun; Ma, Huiyuan
Improving the photocatalytic H2 evolution activity of Keggin polyoxometalates anchoring copper-azole complexes
Green Chemistry, 2021, 23, 3104-3114
7242614 CIFC18 H13 N OP -17.1154; 9.6387; 10.8333
93.473; 98.583; 109.416
688.03Li, Wenjing; Li, Shun; Luo, Lihua; Ge, Yicen; Xu, Jiaqi; Zheng, Xueli; Yuan, Maolin; Li, Ruixiang; Chen, Hua; Fu, Haiyan
Visible-light-initiated catalyst-free oxidative cleavage of (Z)-triaryl-substituted alkenes containing pyridyl motif under ambient conditions
Green Chemistry, 2021, 23, 3649-3655

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