Crystallography Open Database
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| 7249952 | CIF | C14 H24 Cu N2 O12 | P 1 21/c 1 | 12.72; 21.515; 7.046 90; 92.062; 90 | 1927 | Correia, 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 | CIF | C19 H14 Cu2 N4 O14 | P -1 | 8.169; 9.891; 14.098 105.24; 96.014; 90.575 | 1092.2 | Correia, 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 | CIF | C26 H33 Cu3 N4 O19 | P -1 | 7.3749; 13.1591; 19.23 104.287; 96.867; 103.278 | 1729.1 | Correia, 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 | CIF | C17 H12 O2 | P 1 21/c 1 | 17.739; 5.4252; 12.7285 90; 95.676; 90 | 1219 | Rath, 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 | CIF | C17 H12 O2 | P 1 21/n 1 | 5.4268; 10.2243; 22.7209 90; 94.593; 90 | 1256.63 | Rath, 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 | CIF | C18 H14 O3 | P 1 21/c 1 | 19.0585; 5.6006; 13.1682 90; 104.843; 90 | 1358.66 | Rath, 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 | CIF | C17 H11 F O2 | C 1 2/c 1 | 15.4575; 7.5249; 21.8542 90; 93.64; 90 | 2536.9 | Rath, 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 | CIF | C17 H11 Cl O2 | P 1 | 4.9955; 5.9148; 11.7073 103.743; 98.978; 97.252 | 327.06 | Rath, 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 | CIF | C32 H31 O6 | P -1 | 6.8522; 12.7911; 15.3647 94.719; 102.333; 90.643 | 1310.56 | Rath, 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 | CIF | C18 H16 O4 | P -1 | 7.4833; 8.3504; 13.117 87.703; 79.96; 63.498 | 721.64 | Li, 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 | CIF | C7 H5 O2 | P c c n | 5.56956; 10.83565; 18.2517 90; 90; 90 | 1101.49 | Li, 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 | CIF | C17 H25 O2 S | P -1 | 7.1654; 10.1994; 11.9077 86.315; 76.45; 73.545 | 811.37 | Huang, 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 | CIF | C21 H30 O3 S | P 21 21 21 | 8.30717; 12.2319; 20.046 90; 90; 90 | 2036.92 | Huang, 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 | CIF | C17 H20 N2 O6 S | P 1 21/c 1 | 12.6709; 13.3145; 11.2685 90; 110.5; 90 | 1780.68 | Yang, 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 | CIF | C21 H19 F N2 O6 S | I 1 2/a 1 | 17.434; 11.5074; 20.8088 90; 102.322; 90 | 4078.5 | Yang, 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 | CIF | C21 H19 Br N2 O6 S | I 1 2/a 1 | 17.2458; 12.0306; 21.0605 90; 98.195; 90 | 4324.96 | Yang, 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 | CIF | C22 H22 N2 O6 S | P b c a | 16.1273; 13.8387; 19.0079 90; 90; 90 | 4242.2 | Yang, 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 | CIF | C23 H21 Cl2 F3 N2 O6 S | P 1 21/n 1 | 16.0694; 9.9654; 17.9448 90; 113.464; 90 | 2636 | Yang, 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 | CIF | C8 H8 N10 O | P 1 21/n 1 | 3.616; 16.677; 17.954 90; 95.76; 90 | 1077.2 | Liu, 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 NN bond formation Green Chemistry, 2025, 27, 3727-3732 |
| 7250085 | CIF | C22 H22 N2 O6 S2 | P 1 21/n 1 | 13.881; 11.8967; 14.0748 90; 110.825; 90 | 2172.44 | Yang, 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 | CIF | C10 H12 N2 O4 | P 1 21/n 1 | 7.4675; 9.369; 14.5222 90; 92.911; 90 | 1014.71 | Vance, 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 | CIF | C19 H21 N3 O4 | P 1 21/c 1 | 9.5658; 8.2756; 22.671 90; 99.436; 90 | 1770.4 | Arteaga 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 | CIF | C22 H24 O2 S Se | P 21 21 21 | 5.9476; 18.2684; 18.31 90; 90; 90 | 1989.4 | Xiao, 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 | CIF | C20 H17 D3 O2 S Se | P 1 21/c 1 | 15.7314; 5.9645; 19.2934 90; 98.228; 90 | 1791.66 | Xiao, 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 | CIF | C12 H12 N2 O | P 21 21 21 | 6.0306; 10.3023; 16.1959 90; 90; 90 | 1006.24 | Takaishi, 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 | CIF | C12 H14 N2 | P 1 21/n 1 | 12.4491; 6.2533; 13.2178 90; 108.117; 90 | 977.97 | Takaishi, 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 | CIF | C6 H10 O5 | P 21 21 21 | 6.6617; 7.5013; 13.278 90; 90; 90 | 663.52 | Li, 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 | CIF | C26 H22 N2 O3 S | P -1 | 8.8126; 16.8927; 19.2951 65.104; 82.811; 84.903 | 2582.9 | Wang, 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 | CIF | C23 H20 N O3 S2 | P b c a | 11.0229; 16.8862; 21.3037 90; 90; 90 | 3965.36 | Wang, 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 | CIF | C10 H9 N3 O2 | P b c a | 5.5401; 21.2296; 31.9506 90; 90; 90 | 3757.84 | Qin, 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 | CIF | C17 H15 N3 | P 21 21 21 | 6.1053; 13.209; 16.219 90; 90; 90 | 1308 | Xu, 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 | CIF | C30 H26 N6 Se2 | P 1 21/c 1 | 18.961; 9.692; 16.557 90; 113.01; 90 | 2800.6 | Xu, 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 | CIF | C26 H24 Cl3 N3 | P 1 21/c 1 | 13.095; 13.262; 14.744 90; 104.812; 90 | 2475.4 | Xu, 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 | CIF | C20 H21 N3 | P 1 21/c 1 | 9.3995; 11.6864; 15.4113 90; 95.098; 90 | 1686.2 | Xu, 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 | CIF | C18 H19 N3 O | P 1 21/c 1 | 12.8541; 8.4683; 15.3887 90; 110.066; 90 | 1573.41 | Cao, 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 | CIF | C17 H16 Cl N3 O | P 1 21 1 | 7.1028; 8.8291; 12.7916 90; 95.609; 90 | 798.3 | Cao, 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 | CIF | C14 H12 N2 O | P 1 21/c 1 | 9.0084; 8.7513; 15.7194 90; 99.743; 90 | 1221.37 | Li, 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 | CIF | C12 H14 N2 O2 S | P -1 | 7.5524; 8.9178; 9.358 83.619; 80.454; 66.215 | 568.07 | Lei, 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 | CIF | C13 H16 N2 O5 S2 | P 1 21/c 1 | 11.2743; 24.3447; 11.0893 90; 96.945; 90 | 3021.34 | Lei, 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 | CIF | C13 H15 N3 S | P b c a | 14.3166; 10.3015; 17.545 90; 90; 90 | 2587.58 | Zhou, 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 | CIF | C18 H16 O3 | P -1 | 8.9241; 9.106; 10.2978 70.545; 74.245; 74.481 | 744.8 | He, 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 | CIF | C45 H30 N15 Ni3 O56 W12 | C 1 2/c 1 | 43.284; 20.552; 26.903 90; 126.944; 90 | 19127 | Jiao, 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 | CIF | C18 H16 O2 | P 21 21 21 | 5.926; 11.6332; 19.3715 90; 90; 90 | 1335.44 | Chen, 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 | CIF | C15 H15 Cl O S | P -1 | 9.2974; 10.0625; 15.8641 76.4892; 82.2856; 71.4025 | 1364.86 | Gu, 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 | CIF | C18 H16 F6 O2 S | P 1 21/c 1 | 21.0767; 9.2205; 9.3765 90; 95.69; 90 | 1813.23 | Gu, 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 | CIF | C16 H15 N O4 | C m c e | 6.8069; 18.566; 20.81 90; 90; 90 | 2629.9 | Mirza, 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 | CIF | C13 H13 N O4 | P 1 21/c 1 | 23.8084; 4.6171; 11.0799 90; 92.314; 90 | 1216.97 | Guan, 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 | CIF | C21 H18 Cd N2 O7 | P -1 | 10.1022; 10.2035; 11.395 99.416; 99.647; 119.113 | 969.83 | Yuan, 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 | CIF | C12 H8 N4 O11.2 Zn | P 42/m m c | 13.2864; 13.2864; 7.2865 90; 90; 90 | 1286.27 | Shupletsov, 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 | CIF | C12 H8 N4 O0.5 Zn | I 41 2 2 | 16.3434; 16.3434; 12.5154 90; 90; 90 | 3342.95 | Shupletsov, 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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