Crystallography Open Database

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7249952 CIFC14 H24 Cu N2 O12P 1 21/c 112.72; 21.515; 7.046
90; 92.062; 90
1927Correia, Gilvan A.; Franco, Chris H. J.; Kirillova, Marina V.; Gallou, Fabrice; Kirillov, Alexander M.
Adding value to terpenes: copper-catalyzed oxidation of α-pinene in water under micellar conditions
Green Chemistry, 2025, 27, 3178-3185
7249953 CIFC19 H14 Cu2 N4 O14P -18.169; 9.891; 14.098
105.24; 96.014; 90.575
1092.2Correia, Gilvan A.; Franco, Chris H. J.; Kirillova, Marina V.; Gallou, Fabrice; Kirillov, Alexander M.
Adding value to terpenes: copper-catalyzed oxidation of α-pinene in water under micellar conditions
Green Chemistry, 2025, 27, 3178-3185
7249954 CIFC26 H33 Cu3 N4 O19P -17.3749; 13.1591; 19.23
104.287; 96.867; 103.278
1729.1Correia, Gilvan A.; Franco, Chris H. J.; Kirillova, Marina V.; Gallou, Fabrice; Kirillov, Alexander M.
Adding value to terpenes: copper-catalyzed oxidation of α-pinene in water under micellar conditions
Green Chemistry, 2025, 27, 3178-3185
7249990 CIFC17 H12 O2P 1 21/c 117.739; 5.4252; 12.7285
90; 95.676; 90
1219Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2025, 27, 3465-3476
7249991 CIFC17 H12 O2P 1 21/n 15.4268; 10.2243; 22.7209
90; 94.593; 90
1256.63Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2025, 27, 3465-3476
7249992 CIFC18 H14 O3P 1 21/c 119.0585; 5.6006; 13.1682
90; 104.843; 90
1358.66Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2025, 27, 3465-3476
7249993 CIFC17 H11 F O2C 1 2/c 115.4575; 7.5249; 21.8542
90; 93.64; 90
2536.9Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2025, 27, 3465-3476
7249994 CIFC17 H11 Cl O2P 14.9955; 5.9148; 11.7073
103.743; 98.978; 97.252
327.06Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2025, 27, 3465-3476
7249995 CIFC32 H31 O6P -16.8522; 12.7911; 15.3647
94.719; 102.333; 90.643
1310.56Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2025, 27, 3465-3476
7250052 CIFC18 H16 O4P -17.4833; 8.3504; 13.117
87.703; 79.96; 63.498
721.64Li, Jiayuan; Zhang, Zeyu; Yi, Yaping; Xi, Chanjuan
Visible-light-induced photoredox-catalyzed dearomative dicarboxylation of arenes using formate and CO2
Green Chemistry, 2025, 27, 3443-3450
7250053 CIFC7 H5 O2P c c n5.56956; 10.83565; 18.2517
90; 90; 90
1101.49Li, Jiayuan; Zhang, Zeyu; Yi, Yaping; Xi, Chanjuan
Visible-light-induced photoredox-catalyzed dearomative dicarboxylation of arenes using formate and CO2
Green Chemistry, 2025, 27, 3443-3450
7250062 CIFC17 H25 O2 SP -17.1654; 10.1994; 11.9077
86.315; 76.45; 73.545
811.37Huang, Wanhui; Liu, Ge; Yang, Fangyuanhang; Ren, Yuxi; Gao, Yuzhen; Su, Weiping
CO2-Promoted photoredox-catalyzed hydrosulfonylation of alkenes with sulfinates
Green Chemistry, 2025, 27, 3627-3633
7250063 CIFC21 H30 O3 SP 21 21 218.30717; 12.2319; 20.046
90; 90; 90
2036.92Huang, Wanhui; Liu, Ge; Yang, Fangyuanhang; Ren, Yuxi; Gao, Yuzhen; Su, Weiping
CO2-Promoted photoredox-catalyzed hydrosulfonylation of alkenes with sulfinates
Green Chemistry, 2025, 27, 3627-3633
7250074 CIFC17 H20 N2 O6 SP 1 21/c 112.6709; 13.3145; 11.2685
90; 110.5; 90
1780.68Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming
Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions
Green Chemistry, 2025, 27, 1499-1509
7250075 CIFC21 H19 F N2 O6 SI 1 2/a 117.434; 11.5074; 20.8088
90; 102.322; 90
4078.5Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming
Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions
Green Chemistry, 2025, 27, 1499-1509
7250076 CIFC21 H19 Br N2 O6 SI 1 2/a 117.2458; 12.0306; 21.0605
90; 98.195; 90
4324.96Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming
Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions
Green Chemistry, 2025, 27, 1499-1509
7250077 CIFC22 H22 N2 O6 SP b c a16.1273; 13.8387; 19.0079
90; 90; 90
4242.2Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming
Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions
Green Chemistry, 2025, 27, 1499-1509
7250078 CIFC23 H21 Cl2 F3 N2 O6 SP 1 21/n 116.0694; 9.9654; 17.9448
90; 113.464; 90
2636Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming
Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions
Green Chemistry, 2025, 27, 1499-1509
7250084 CIFC8 H8 N10 OP 1 21/n 13.616; 16.677; 17.954
90; 95.76; 90
1077.2Liu, Lei; Huang, Wengzhe; Yuan, Ye; Lu, Lu; Tang, Yongxing; Huang, Wei
Site-selective electrochemical synthesis of nitrogen-enriched bis-pyrazole derivatives: a sustainable approach for N–N versus NN bond formation
Green Chemistry, 2025, 27, 3727-3732
7250085 CIFC22 H22 N2 O6 S2P 1 21/n 113.881; 11.8967; 14.0748
90; 110.825; 90
2172.44Yang, Luyao; Ying, Jialuo; Zheng, Hao; Xu, Yuyan; Wu, Liping; Chen, Zhiwei
Photo-promoted radical cascade cyclization of 4-(allylamino)-3-cyanocoumarins: access to sulfonylated pyrido[3,2-c]coumarin derivatives
Green Chemistry, 2025, 27, 3524-3531
7250101 CIFC10 H12 N2 O4P 1 21/n 17.4675; 9.369; 14.5222
90; 92.911; 90
1014.71Vance, Susanna S. M.; Chatzisymeon, Efthalia; Morrison, Carole A.; Love, Jason B.
Recovering copper from e-waste: recyclable precipitation versus solvent extraction with carbon emission assessment
Green Chemistry, 2025, 27, 3789-3804
7250160 CIFC19 H21 N3 O4P 1 21/c 19.5658; 8.2756; 22.671
90; 99.436; 90
1770.4Arteaga Giraldo, Juan J.; Söhnel, Tilo; Kilmartin, Paul A.; Sperry, Jonathan
Electrochemical oxidation–cyclocondensation of chitin-derived 3-acetamido-5-acetylfuran (3A5AF) for the synthesis of 3-acetyl-4-acetamidopyrrolin-2-ones
Green Chemistry, 2025, 27, 4259-4266
7250180 CIFC22 H24 O2 S SeP 21 21 215.9476; 18.2684; 18.31
90; 90; 90
1989.4Xiao, Xiao; Tian, Hong-Yu; Sun, Jia-Chen; Bai, Jun; Wang, Min; Chen, Biao; Jin, Yu-Xia; Jiang, Hai-Bo; Cheng, Dang; Chen, Fen-Er
Deuterated methylselenylating reagents designed for diverse Se-methyl-d3 scaffold construction
Green Chemistry, 2025, 27, 4779-4794
7250181 CIFC20 H17 D3 O2 S SeP 1 21/c 115.7314; 5.9645; 19.2934
90; 98.228; 90
1791.66Xiao, Xiao; Tian, Hong-Yu; Sun, Jia-Chen; Bai, Jun; Wang, Min; Chen, Biao; Jin, Yu-Xia; Jiang, Hai-Bo; Cheng, Dang; Chen, Fen-Er
Deuterated methylselenylating reagents designed for diverse Se-methyl-d3 scaffold construction
Green Chemistry, 2025, 27, 4779-4794
7250271 CIFC12 H12 N2 OP 21 21 216.0306; 10.3023; 16.1959
90; 90; 90
1006.24Takaishi, Kazuto; Morishita, Hajime; Iwaki, Kosuke; Ema, Tadashi
Deoxygenative dual CO2 conversions: methylenation and switchable N-formylation/N-methylation of tryptamines
Green Chemistry, 2025, 27, 5359-5365
7250272 CIFC12 H14 N2P 1 21/n 112.4491; 6.2533; 13.2178
90; 108.117; 90
977.97Takaishi, Kazuto; Morishita, Hajime; Iwaki, Kosuke; Ema, Tadashi
Deoxygenative dual CO2 conversions: methylenation and switchable N-formylation/N-methylation of tryptamines
Green Chemistry, 2025, 27, 5359-5365
7250273 CIFC6 H10 O5P 21 21 216.6617; 7.5013; 13.278
90; 90; 90
663.52Li, Xianda; Shao, Zhongping; Shan, Haozhe; Liu, Li
Evolution process of humins derived from cellulose by a humin extraction approach
Green Chemistry, 2025, 27, 5322-5331
7250280 CIFC26 H22 N2 O3 SP -18.8126; 16.8927; 19.2951
65.104; 82.811; 84.903
2582.9Wang, Min; Jian, Yu-Rui; Fu, Xin-Yu; Xiang, Wei; Zha, Xiao; Zheng, Hong-Yu; Cui, Bao-Dong; Zhang, Yun; Mou, Xue-Qing; Chen, Yong-Zheng
Photoinduced tunable fluoroalkylation or sulfonylation/cyclization of methindolylstyrenes via electron donor–acceptor complexes
Green Chemistry, 2025, 27, 5433-5441
7250281 CIFC23 H20 N O3 S2P b c a11.0229; 16.8862; 21.3037
90; 90; 90
3965.36Wang, Min; Jian, Yu-Rui; Fu, Xin-Yu; Xiang, Wei; Zha, Xiao; Zheng, Hong-Yu; Cui, Bao-Dong; Zhang, Yun; Mou, Xue-Qing; Chen, Yong-Zheng
Photoinduced tunable fluoroalkylation or sulfonylation/cyclization of methindolylstyrenes via electron donor–acceptor complexes
Green Chemistry, 2025, 27, 5433-5441
7250349 CIFC10 H9 N3 O2P b c a5.5401; 21.2296; 31.9506
90; 90; 90
3757.84Qin, Changsheng; Li, Chenxu; Gao, Fang; Wang, Jingfang; Zhang, Zhihua; Zhang, Shuai; Li, Xinyue; Sun, Yi; Hu, Meiqian; Wang, Shoucai; Ji, Fanghua; Jiang, Guangbin
A photo-Fenton-like (trideutero)methylation reaction of N/O heterocycles with DMSO(-d6) induced by EDA complex photocatalysis
Green Chemistry, 2025, 27, 6206-6212
7250388 CIFC17 H15 N3P 21 21 216.1053; 13.209; 16.219
90; 90; 90
1308Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu
Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics
Green Chemistry, 2025, 27, 6880-6886
7250389 CIFC30 H26 N6 Se2P 1 21/c 118.961; 9.692; 16.557
90; 113.01; 90
2800.6Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu
Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics
Green Chemistry, 2025, 27, 6880-6886
7250390 CIFC26 H24 Cl3 N3P 1 21/c 113.095; 13.262; 14.744
90; 104.812; 90
2475.4Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu
Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics
Green Chemistry, 2025, 27, 6880-6886
7250391 CIFC20 H21 N3P 1 21/c 19.3995; 11.6864; 15.4113
90; 95.098; 90
1686.2Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu
Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics
Green Chemistry, 2025, 27, 6880-6886
7250417 CIFC18 H19 N3 OP 1 21/c 112.8541; 8.4683; 15.3887
90; 110.066; 90
1573.41Cao, Xi-Ying; Li, Zhong-Hao; Cao, Xiao-Hui; Li, Zong; Pang, Chu-Ming; Zhang, Zu-Qi; Wang, Zhao-Yang
Multifunctional 3-cyanopyridine compounds: synthesis based on a tandem reaction with 100% atom economy and their applications
Green Chemistry, 2025, 27, 7300-7306
7250418 CIFC17 H16 Cl N3 OP 1 21 17.1028; 8.8291; 12.7916
90; 95.609; 90
798.3Cao, Xi-Ying; Li, Zhong-Hao; Cao, Xiao-Hui; Li, Zong; Pang, Chu-Ming; Zhang, Zu-Qi; Wang, Zhao-Yang
Multifunctional 3-cyanopyridine compounds: synthesis based on a tandem reaction with 100% atom economy and their applications
Green Chemistry, 2025, 27, 7300-7306
7250419 CIFC14 H12 N2 OP 1 21/c 19.0084; 8.7513; 15.7194
90; 99.743; 90
1221.37Li, Kai; Li, Tong; Zhang, Yupu; Yang, Hao; Sun, Qi; Wang, Zhiyong
Switching between α-alkenylation and α-alkylation of nitriles by coupling multiple electrochemical methods
Green Chemistry, 2025, 27, 6734-6740
7250420 CIFC12 H14 N2 O2 SP -17.5524; 8.9178; 9.358
83.619; 80.454; 66.215
568.07Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming
Electrochemical selective incorporation of SO2 to synthesize fused-ring framework compounds
Green Chemistry, 2025, 27, 6825-6830
7250421 CIFC13 H16 N2 O5 S2P 1 21/c 111.2743; 24.3447; 11.0893
90; 96.945; 90
3021.34Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming
Electrochemical selective incorporation of SO2 to synthesize fused-ring framework compounds
Green Chemistry, 2025, 27, 6825-6830
7250440 CIFC13 H15 N3 SP b c a14.3166; 10.3015; 17.545
90; 90; 90
2587.58Zhou, Honghao; Zhang, Yike; Ma, Liting; Liu, Xiangyang; Zhang, Chun; Tong, Feifei; Hu, Dandan; Zhang, Jun-Qi; Yang, Jianguo
Electrochemically driven tandem addition–cyclization: synthesis of thiadiazinanes and thiophosphonates
Green Chemistry, 2025, 27, 7336-7343
7250441 CIFC18 H16 O3P -18.9241; 9.106; 10.2978
70.545; 74.245; 74.481
744.8He, Yicheng; Unnikrishnan, Krishnapriya Anattil; Yin, Wenhao; Kuniyil, Rositha; Du, Haifeng; Guo, Wusheng
B(C6F5)3-catalysed cyclic carbonate editing
Green Chemistry, 2025, 27, 6741-6746
7250442 CIFC45 H30 N15 Ni3 O56 W12C 1 2/c 143.284; 20.552; 26.903
90; 126.944; 90
19127Jiao, Jiachen; Zhang, Chuanbao; Sun, Hui; Hu, Haina; Xu, Ziqing; Zhao, Junwei; Han, Qiuxia; Ma, Pengtao
Photocatalytic oxidation of various C–H bonds by a polyoxometalate nanocluster-dominated compartmentalized metal–organic framework
Green Chemistry, 2025, 27, 7608-7619
7250474 CIFC18 H16 O2P 21 21 215.926; 11.6332; 19.3715
90; 90; 90
1335.44Chen, Yirui; Cheng, Yuqi; Tong, Wanting; Wu, Hangtao; Zhao, Chuhan; Song, Dingguo; Ling, Fei; Zhong, Weihui
Supported manganese catalysts achieve highly efficient C–H bond oxidation and olefin epoxidation
Green Chemistry, 2025, 27, 7717-7727
7250559 CIFC15 H15 Cl O SP -19.2974; 10.0625; 15.8641
76.4892; 82.2856; 71.4025
1364.86Gu, Jiayi; Xin, Meixiu; Cheng, Zhuo; Zou, Zhiru; Du, Zhibo; Cheng, Xinyi; Wang, Yan; Zou, Yong
Anti-Markovnikov hydrosulfenylation of unactivated alkenes/alkynes via visible-light organic photocatalysis
Green Chemistry, 2025, 27, 7763-7770
7250560 CIFC18 H16 F6 O2 SP 1 21/c 121.0767; 9.2205; 9.3765
90; 95.69; 90
1813.23Gu, Jiayi; Xin, Meixiu; Cheng, Zhuo; Zou, Zhiru; Du, Zhibo; Cheng, Xinyi; Wang, Yan; Zou, Yong
Anti-Markovnikov hydrosulfenylation of unactivated alkenes/alkynes via visible-light organic photocatalysis
Green Chemistry, 2025, 27, 7763-7770
7250598 CIFC16 H15 N O4C m c e6.8069; 18.566; 20.81
90; 90; 90
2629.9Mirza, Yafia Kousin; Bera, Partha Sarathi; Nandini, R.; Talukdar, Dhrubajyoti; Mohite, Sachin Balaso; Mane, Manoj V.; Bera, Milan
Unlocking enhanced reactivity of hexafluoroisopropanol: a sustainable atom economical approach to selective cascade di-π-functionalization of allenamides
Green Chemistry, 2025, 27, 8972-8979
7250604 CIFC13 H13 N O4P 1 21/c 123.8084; 4.6171; 11.0799
90; 92.314; 90
1216.97Guan, Yu; Wang, Bin; Ying, Yan-Ling; Li, Ping; Zhang, Zhan-Hui
Copper(i) anchored on a covalent triazine framework/ionic liquid as a recyclable catalytic system for cyclization of propargylic amines with CO2 under ambient conditions
Green Chemistry, 2025, 27, 9165-9177
7250611 CIFC21 H18 Cd N2 O7P -110.1022; 10.2035; 11.395
99.416; 99.647; 119.113
969.83Yuan, Nana; Cao, Jia; Ren, Yixia; Hou, Xiufang; Chen, Sanping
Dual enabling photomediated Knoevenagel condensation and alkene perfluoroalkylation reactions by a photoresponsive cadmium–organic framework
Green Chemistry, 2025, 27, 8603-8612
7250692 CIFC12 H8 N4 O11.2 ZnP 42/m m c13.2864; 13.2864; 7.2865
90; 90; 90
1286.27Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan
The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization
Green Chemistry, 2025, 27, 10218-10233
7250693 CIFC12 H8 N4 O0.5 ZnI 41 2 216.3434; 16.3434; 12.5154
90; 90; 90
3342.95Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan
The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization
Green Chemistry, 2025, 27, 10218-10233

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