Crystallography Open Database

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7242618 CIFC26 H21 Cl4 N2 O4P 1 21/c 117.7729; 19.2994; 7.3793
90; 95.972; 90
2517.4Liu, Xu; Liu, Chang; Cheng, Xu
Ring-contraction of hantzsch esters and their derivatives to pyrroles via electrochemical extrusion of ethyl acetate out of aromatic rings
Green Chemistry, 2021, 23, 3468-3473
7242639 CIFC22 H20 Cl6 N4 Ni O2I 1 2/a 115.0319; 11.2984; 16.0579
90; 107.022; 90
2607.74Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin
Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate
Green Chemistry, 2021, 23, 3365-3373
7242640 CIFC42 H64 N6 Ni O2I 1 2/a 112.7952; 18.3813; 18.9751
90; 109.067; 90
4217.96Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin
Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate
Green Chemistry, 2021, 23, 3365-3373
7242641 CIFC30 H40 N6 Ni O2C 1 2/c 112.0724; 10.2682; 24.5315
90; 102.057; 90
2973.89Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin
Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate
Green Chemistry, 2021, 23, 3365-3373
7242642 CIFC30 H24 N6 Ni O2P 1 21/n 17.7855; 14.7244; 22.189
90; 98.032; 90
2518.72Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin
Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate
Green Chemistry, 2021, 23, 3365-3373
7242643 CIFC26 H34 N6 Ni O3P 1 21/n 112.8828; 18.5259; 22.3137
90; 98.798; 90
5262.85Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin
Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate
Green Chemistry, 2021, 23, 3365-3373
7242644 CIFC36 H36 N6 Ni O2P 1 21/n 111.1131; 10.3896; 14.6952
90; 109.634; 90
1598.07Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin
Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate
Green Chemistry, 2021, 23, 3365-3373
7242664 CIFC12 H11 N4 O1.5C 1 2/c 118.0472; 7.044; 16.9293
90; 96.096; 90
2139.96Niu, Kaikai; Ding, Ling; Zhou, Pan; Hao, Yanke; Liu, Yuxiu; Song, Hongjian; Wang, Qingmin
Electro-oxidative C‒H azolation of quinoxalin-2(1H)-ones
Green Chemistry, 2021, 23, 3246-3249
7242675 CIFC13 H12 O3 S2P -15.5069; 13.3044; 35.296
84.488; 88.558; 89.975
2573.2Pampana, V. Kishore Kumar; Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Das, Deb Kumar; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu
Oxy-sulfonylation of terminal alkynes via C‒S coupling enabled by copper photoredox catalysis
Green Chemistry, 2021, 23, 3569-3574
7242676 CIFC14 H11 Cl O3 SP b c a13.3682; 7.2588; 26.6061
90; 90; 90
2581.78Pampana, V. Kishore Kumar; Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Das, Deb Kumar; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu
Oxy-sulfonylation of terminal alkynes via C‒S coupling enabled by copper photoredox catalysis
Green Chemistry, 2021, 23, 3569-3574
7242866 CIFC32 H36 Ca3 O24C 1 2/c 123.4643; 11.4906; 16.2903
90; 122.775; 90
3692.95Pan, Yanxiong; Li, Hui; Lenertz, Mary; Han, Yulun; Ugrinov, Angel; Kilin, Dmitri; Chen, Bingcan; Yang, Zhongyu
One-pot synthesis of enzyme@metal‒organic material (MOM) biocomposites for enzyme biocatalysis
Green Chemistry, 2021, 23, 4466-4476
7242945 CIFC17 H8 F6 N2 O3C 1 2/c 131.1491; 7.2268; 13.9772
90; 92.13; 90
3144.2Brahmachari, Goutam; Karmakar, Indrajit; Karmakar, Pintu
Catalyst- and solvent-free Csp2‒H functionalization of 4-hydroxycoumarins via C-3 dehydrogenative aza-coupling under ball-milling
Green Chemistry, 2021, 23, 4762-4770
7243033 CIFC20 H21 N O2P -110.249; 11.657; 14.822
104.005; 92.306; 109.243
1608.2Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok
Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors
Green Chemistry, 2021, 23, 5113-5119
7243034 CIFC18 H17 N OP 1 21/n 15.8897; 19.96; 11.987
90; 103.094; 90
1372.5Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok
Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors
Green Chemistry, 2021, 23, 5113-5119
7243035 CIFC23 H21 NP b c n11.1052; 16.1802; 9.2208
90; 90; 90
1656.8Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok
Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors
Green Chemistry, 2021, 23, 5113-5119
7243062 CIFC20 H14 N2 O SP 1 21/n 13.8618; 33.708; 11.8039
90; 98.934; 90
1517.9Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Hwang, Kuo Chu
Photoredox synthesis of functionalized quinazolines via copper-catalyzed aerobic oxidative Csp2‒H annulation of amidines with terminal alkynes
Green Chemistry, 2021, 23, 5024-5030
7243063 CIFC21 H18 N2 O2 SP 1 21/c 19.3403; 17.0872; 10.882
90; 106.207; 90
1667.74Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Hwang, Kuo Chu
Photoredox synthesis of functionalized quinazolines via copper-catalyzed aerobic oxidative Csp2‒H annulation of amidines with terminal alkynes
Green Chemistry, 2021, 23, 5024-5030
7243064 CIFC22 H15 Cl N2 O2P 1 21/n 114.02; 8.187; 15.972
90; 104.692; 90
1773.4Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Hwang, Kuo Chu
Photoredox synthesis of functionalized quinazolines via copper-catalyzed aerobic oxidative Csp2‒H annulation of amidines with terminal alkynes
Green Chemistry, 2021, 23, 5024-5030
7243065 CIFC16 H11 N O4P b c a18.517; 6.9182; 38.2895
90; 90; 90
4905.05Bashir, Muhammad Adnan; Zhang, Yulong; Yu, Huaibin; Wang, Bofei; Zhao, Weining; Zhong, Fangrui
Bimetallic copper/cobalt-cocatalyzed double aerobic phenol oxidation/cyclization toward π-extended benzofuro[2,3-b]indoles as electron donors for electroluminescence
Green Chemistry, 2021, 23, 5031-5036
7243079 CIFC21 H18 N2P 1 21/n 115.6432; 13.2799; 17.6411
90; 114.078; 90
3345.9Luo, Zhenli; Pan, Yixiao; Yao, Zhen; Yang, Ji; Zhang, Xin; Liu, Xintong; Xu, Lijin; Fan, Qing-Hua
BF3·Et2O as a metal-free catalyst for direct reductive amination of aldehydes with amines using formic acid as a reductant
Green Chemistry, 2021, 23, 5205-5211
7243088 CIFC24 H27.5 N2 OP -111.9297; 12.924; 13.666
75.136; 78.644; 89.902
1994Hu, Fangzhi; Wang, Liang; Ge, Chunyan; Li, Xinyao; Ding, Zhanshuai; Xu, Lubin; Li, Shuai-Shuai
Divergent α-functionalization of cyclic amines via ring construction by molecular O2 oxidized dearomatization and ring deconstruction by aromatization-driven C–C σ-bond cleavage
Green Chemistry, 2021, 23, 5535-5541
7243089 CIFC25 H34 N2 O2R -3 :H34.3408; 34.3408; 10.4316
90; 90; 120
10653.7Hu, Fangzhi; Wang, Liang; Ge, Chunyan; Li, Xinyao; Ding, Zhanshuai; Xu, Lubin; Li, Shuai-Shuai
Divergent α-functionalization of cyclic amines via ring construction by molecular O2 oxidized dearomatization and ring deconstruction by aromatization-driven C‒C σ-bond cleavage
Green Chemistry, 2021, 23, 5535-5541
7243090 CIFC21 H25 Cl N2 OP 1 21/c 115.3242; 13.8242; 9.0303
90; 104.165; 90
1854.86Hu, Fangzhi; Wang, Liang; Ge, Chunyan; Li, Xinyao; Ding, Zhanshuai; Xu, Lubin; Li, Shuai-Shuai
Divergent α-functionalization of cyclic amines via ring construction by molecular O2 oxidized dearomatization and ring deconstruction by aromatization-driven C‒C σ-bond cleavage
Green Chemistry, 2021, 23, 5535-5541
7243091 CIFB5 H12 N O12A e a 211.3246; 11.0147; 9.1513
90; 90; 90
1141.51Kusy, Rafał; Grela, Karol
Ligand-free (Z)-selective transfer semihydrogenation of alkynes catalyzed by in situ generated oxidizable copper nanoparticles
Green Chemistry, 2021, 23, 5494-5502
7243119 CIFC16 H15 I O2 SP 21 21 215.4771; 9.0324; 31.6646
90; 90; 90
1566.49Lin, Li; Yang, Zhonglie; Liu, Jianchen; Wang, Jingxia; Zheng, Jiale; Li, Jun-Long; Zhang, Xiaobin; Liu, Xiang-Wei; Jiang, Hezhong; Li, Jiahong
Visible-light-induced surfactant-promoted sulfonylation of alkenes and alkynes with sulfonyl chloride by the formation of an EDA-complex with NaI in water at room temperature
Green Chemistry, 2021, 23, 5467-5473
7243124 CIFC17 H14 O2 SP 1 21/c 111.6106; 16.0508; 7.5624
90; 104.79; 90
1362.63Klöpfer, Viktor; Eckl, Robert; Floß, Johannes; Roth, Philippe M. C.; Reiser, Oliver; Barham, Joshua P.
Catalyst-free, scalable heterocyclic flow photocyclopropanation
Green Chemistry, 2021, 23, 6366-6372
7243270 CIFC20 H17 Br2 N3P 1 21/n 114.62006; 5.80584; 22.6165
90; 104.199; 90
1861.08Yang, Jingya; Song, Menghui; Zhou, Hongyan; Qi, Yanfang; Ma, Ben; Wang, Xi-Cun
Visible-light-promoted decarboxylative addition cyclization of N-aryl glycines and azobenzenes to access 1,2,4-triazolidines
Green Chemistry, 2021, 23, 5806-5811
7243271 CIFC20 H17 Br2 N3P 1 21/n 114.62006; 5.80584; 22.6165
90; 104.199; 90
1861.08Yang, Jingya; Song, Menghui; Zhou, Hongyan; Qi, Yanfang; Ma, Ben; Wang, Xi-Cun
Visible-light-promoted decarboxylative addition cyclization of N-aryl glycines and azobenzenes to access 1,2,4-triazolidines
Green Chemistry, 2021, 23, 5806-5811
7243278 CIFC22 H17 F3 O3 S2P -18.0894; 8.6805; 16.3072
80.083; 79.077; 79.493
1094.2Qin, Long-Zhou; Yuan, Xin; Liu, Jie; Wu, Meng-Yu; Sun, Qi; Duan, Xiu; Zhang, Xin-Peng; Qiu, Jiang-Kai; Guo, Kai
Continuous-flow processes for the S-alkynylation of cysteine-containing peptides and thioglycosides under catalyst-free, oxidant-free and mild conditions
Green Chemistry, 2021, 23, 6598-6603
7243303 CIFC18 H18 N2 O3P -18.4879; 9.8238; 10.6092
110.924; 95.681; 108.558
760.4Han, Zhi-Peng; Xu, Meng-Meng; Zhang, Rui-Ying; Xu, Xiao-Ping; Ji, Shun-Jun
Rh(iii)-Catalyzed C(sp2)‒H functionalization/cyclization cascade of N-carboxamide indole and iodonium reagents for access to indoloquinazolinone derivatives
Green Chemistry, 2021, 23, 6337-6340
7243507 CIFC27 H26 P4 PdP -18.4671; 10.5451; 14.4131
88.379; 80.098; 73.608
1215.92Xia, Shu-Mei; Yang, Zhi-Wen; Yao, Xiang-Yang; Chen, Kai-Hong; Qiu, Li-Qi; He, Liang-Nian
The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: an alternative indirect utilization of CO2
Green Chemistry, 2021, 23, 8089-8095
7243508 CIFC17 H10 F6 O2P 1 21/c 15.5094; 15.212; 18.2863
90; 96.429; 90
1522.92Xia, Shu-Mei; Yang, Zhi-Wen; Yao, Xiang-Yang; Chen, Kai-Hong; Qiu, Li-Qi; He, Liang-Nian
The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: an alternative indirect utilization of CO2
Green Chemistry, 2021, 23, 8089-8095
7243545 CIFC21 H16 Cl N3 O3 SP -18.3414; 10.8615; 11.6407
69.332; 87.543; 76.539
958.77Kumar, Navaneet; Bhadoria, Deepak; Kumar, Atul
Visible-light-promoted three-component cycloaddition reaction: synthesis of 4-functionalized 1,5-disubstituted 1,2,3-triazoles
Green Chemistry, 2021, 23, 7987-7995
7243613 CIFC19 H17 F8 N5 O3C 1 2 111.1446; 6.5924; 29.135
90; 93.968; 90
2135.4Ning, Yongquan; Wang, Hongwei; Sivaguru, Paramasivam; Li, Shuang; Zanoni, Giuseppe; Nolan, Steven P.; Bi, Xihe
Defluorinative [4 + 1] annulation of perfluoroalkyl N-mesylhydrazones with primary amines provides 5-fluoroalkyl 1,2,3-triazoles
Green Chemistry, 2021, 23, 7976-7981
7243618 CIFC19 H11 F2 NC 1 c 13.8635; 26.708; 12.5375
90; 90.609; 90
1293.63Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang
Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations
Green Chemistry, 2021, 23, 7950-7955
7243619 CIFC23 H21 NP b c n11.0913; 16.1163; 9.1839
90; 90; 90
1641.6Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang
Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations
Green Chemistry, 2021, 23, 7950-7955
7243620 CIFC19 H11 Cl2 NP -17.1916; 8.2658; 13.5299
87.021; 75.797; 68.795
726.3Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang
Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations
Green Chemistry, 2021, 23, 7950-7955
7243621 CIFC21 H17 N O2P 1 21/c 112.6441; 17.5664; 15.456
90; 114.037; 90
3135.26Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang
Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations
Green Chemistry, 2021, 23, 7950-7955
7243651 CIFC21 H23 N3P 1 21/n 115.4459; 7.45856; 16.2431
90; 118.081; 90
1650.99Wang, Lin-Xuan; Qiu, Bin; An, Xiao-De; Dong, Pei-Zhen; Liu, Rui-Bin; Xiao, Jian
Organocatalytic cascade aldimine condensation/[1,6]-hydride transfer/Mannich-type cyclization: sustainable access to indole-2,3-fused diazocanes
Green Chemistry, 2021, 23, 8181-8186
7243704 CIFC21 H19 N3 O SP 21 21 217.2246; 11.8631; 20.815
90; 90; 90
1784Duan, Xiu; Sun, Qi; Yuan, Xin; Qin, Long-Zhou; Zhang, Xin-Peng; Liu, Jie; Wu, Meng-Yu; Zhu, Shan-Shan; Ma, Can-Liang; Qiu, Jiang-Kai; Guo, Kai
Photoinduced remote heteroaryl migration accompanied by cyanoalkylacylation in continuous flow
Green Chemistry, 2021, 23, 8916-8921
7243738 CIFC15 H13 F N2 O3P 1 21/c 112.35; 13.16; 8.567
90; 93; 90
1390Luo, Mu-Jia; Ouyang, Xuan-Hui; Zhu, Yan-Ping; Li, Yang; Li, Jin-Heng
Metal-free electrochemical [3 + 2] heteroannulation of anilines with pyridines enabled by dual C–H radical aminations
Green Chemistry, 2021, 23, 9024-9029
7243739 CIFC18 H48 B Cu3 K3 N24 O66 W12R -3 :H35.1668; 35.1668; 20.227
90; 90; 120
21663.5Chang, Shenzhen; Chen, Yanhong; An, Haiyan; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui
Polyoxometalate-based supramolecular porous frameworks with dual-active centers towards highly efficient synthesis of functionalized p-benzoquinones
Green Chemistry, 2021, 23, 8591-8603
7243740 CIFC18 H67 Cu3 K3 N24 O76 Si W12P -315.57; 15.57; 10.337
90; 90; 120
2170.2Chang, Shenzhen; Chen, Yanhong; An, Haiyan; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui
Polyoxometalate-based supramolecular porous frameworks with dual-active centers towards highly efficient synthesis of functionalized p-benzoquinones
Green Chemistry, 2021, 23, 8591-8603
7243782 CIFC21 H18 N O3 PP 1 21/n 19.52643; 14.88162; 12.71774
90; 90.7242; 90
1802.83Zhu, Yuan-Yuan; Zhang, Tao; Zhou, Linlin; Yang, Shang-Dong
Concise synthesis of N-phosphorylated amides through three-component reactions
Green Chemistry, 2021, 23, 9417-9421
7243783 CIFC26 H22 N O2 PP 1 21/c 115.6285; 9.3057; 14.6152
90; 95.164; 90
2116.92Zhu, Yuan-Yuan; Zhang, Tao; Zhou, Linlin; Yang, Shang-Dong
Concise synthesis of N-phosphorylated amides through three-component reactions
Green Chemistry, 2021, 23, 9417-9421
7243784 CIFC22 H18 N2P 1 21/c 19.87; 20.34; 8.95
90; 108.57; 90
1703Chen, Wei-Li; Li, Kun; Liao, Wei-Cong; Liang, Wang-Fu; Qiu, Pei-Wen; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang
An iron(iii)-catalyzed dehydrogenative cross-coupling reaction of indoles with benzylamines to prepare 3-aminoindole derivatives
Green Chemistry, 2021, 23, 9610-9616
7243785 CIFC20 H14 N2P 1 21/n 17.9106; 10.4113; 18.0346
90; 98.689; 90
1468.28Chen, Wei-Li; Li, Kun; Liao, Wei-Cong; Liang, Wang-Fu; Qiu, Pei-Wen; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang
An iron(iii)-catalyzed dehydrogenative cross-coupling reaction of indoles with benzylamines to prepare 3-aminoindole derivatives
Green Chemistry, 2021, 23, 9610-9616
7243842 CIFC23 H22 I N O4P 1 21/c 115.4121; 8.5604; 15.8404
90; 98.365; 90
2067.65Wei, Xiaohui; Liang, Xuewu; Li, Yazhou; Liu, Qi; Liu, Xuyi; Zhou, Yu; Liu, Hong
I2-induced cascade cyclization and dearomatization of indoles for the highly efficient synthesis of iodinated and vinylic spiroindolenines
Green Chemistry, 2021, 23, 9165-9171
7243843 CIFC25 H25 N O4P 1 21/n 19.216; 21.035; 10.878
90; 98.207; 90
2087.2Wei, Xiaohui; Liang, Xuewu; Li, Yazhou; Liu, Qi; Liu, Xuyi; Zhou, Yu; Liu, Hong
I2-induced cascade cyclization and dearomatization of indoles for the highly efficient synthesis of iodinated and vinylic spiroindolenines
Green Chemistry, 2021, 23, 9165-9171
7243844 CIFC23 H22 I N O4P 1 21/c 18.0055; 15.3728; 17.6184
90; 101.571; 90
2124.18Wei, Xiaohui; Liang, Xuewu; Li, Yazhou; Liu, Qi; Liu, Xuyi; Zhou, Yu; Liu, Hong
I2-induced cascade cyclization and dearomatization of indoles for the highly efficient synthesis of iodinated and vinylic spiroindolenines
Green Chemistry, 2021, 23, 9165-9171

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