Crystallography Open Database
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| 7231313 | CIF | C15 H12 F3 N | P n a 21 | 27.0703; 5.7522; 8.0156 90; 90; 90 | 1248.14 | Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents Green Chemistry, 2018, 20, 4023 |
| 7231314 | CIF | C18 H23 N3 O2 | P 1 21/c 1 | 12.8362; 11.1053; 11.7668 90; 92.584; 90 | 1675.65 | Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents Green Chemistry, 2018, 20, 4023 |
| 7231315 | CIF | C23 H21 N O2 | P 1 21 1 | 5.66625; 18.3197; 17.6253 90; 90.314; 90 | 1829.55 | Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents Green Chemistry, 2018, 20, 4023 |
| 7231316 | CIF | C21 H19 N3 O2 | P 1 21/c 1 | 12.8553; 5.5968; 24.4632 90; 92.11; 90 | 1758.9 | Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia Thermal azide–alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents Green Chemistry, 2018, 20, 4023 |
| 7231346 | CIF | C18 H26 Cl9 Ir N2 O4 S | P b c a | 11.2915; 16.6242; 32.7927 90; 90; 90 | 6155.6 | Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A. Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water Green Chemistry, 2018, 20, 4094 |
| 7231347 | CIF | C22 H27 Ir N2 O2 | P -1 | 8.592; 10.2464; 12.6648 78.655; 82.445; 67.017 | 1004.56 | Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A. Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water Green Chemistry, 2018, 20, 4094 |
| 7231348 | CIF | C18 H29 Cl2 F6 Ir N2 O8 S2 | P 1 21/c 1 | 11.2529; 21.6653; 12.9575 90; 111.582; 90 | 2937.5 | Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A. Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water Green Chemistry, 2018, 20, 4094 |
| 7231363 | CIF | C8 H19 N3 Si2 | P 1 21/c 1 | 6.7038; 9.1027; 21.146 90; 91.335; 90 | 1290 | Roshandel, Sahar; Suri, Suresh C.; Marcischak, Jacob C.; Rasul, Golam; Surya Prakash, G. K. Catalyst and solvent free microwave-assisted synthesis of substituted 1,2,3-triazoles Green Chemistry, 2018, 20, 3700 |
| 7231382 | CIF | C14 H7 F4 N | P 1 21/c 1 | 13.274; 14.344; 6.1256 90; 101.518; 90 | 1142.8 | Charpe, Vaibhav Pramod; Hande, Aniket A.; Sagadevan, Arunachalam; Hwang, Kuo Chu Visible-light induced copper(i)-catalysed denitrogenative oxidative coupling of hydrazinylpyridines with terminal alkynes Green Chemistry, 2018, 20, 4859 |
| 7231389 | CIF | C15 H45 Cl9 N3 O4.5 Sn3 | C 1 c 1 | 15.459; 9.19; 23.79 90; 95.25; 90 | 3365.62 | Bayu, Asep; Yoshida, Akihiro; Karnjanakom, Surachai; Kusakabe, Katsuki; Hao, Xiaogang; Prakoso, Tirto; Abudula, Abuliti; Guan, Guoqing Catalytic conversion of biomass derivatives to lactic acid with increased selectivity in an aqueous tin(ii) chloride/choline chloride system Green Chemistry, 2018, 20, 4112 |
| 7231395 | CIF | C90 H101 N6 O12 | P -1 | 19.911; 20.945; 23.811 106.471; 107.031; 108.096 | 8223 | Zhu, Xin-Qi; Yuan, Han; Sun, Qing; Zhou, Bo; Han, Xiao-Qin; Zhang, Zhi-Xin; Lu, Xin; Ye, Long-Wu Benign catalysis with zinc: atom-economical and divergent synthesis of nitrogen heterocycles by formal [3 + 2] annulation of isoxazoles with ynol ethers Green Chemistry, 2018, 20, 4287 |
| 7231603 | CIF | C40 H45 B Cl2 F4 Ir N3 P2 | P -1 | 11.0544; 13.3742; 14.3388 84.204; 84.669; 72.812 | 2010.4 | Iturmendi, Amaia; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Oro, Luis A. A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: the key role of an N-heterocyclic olefin Green Chemistry, 2018, 20, 4875 |
| 7231604 | CIF | C38 H41 B Cl2 F4 Ir N3 P2 | P 1 21/n 1 | 15.5008; 11.5673; 21.116 90; 97.583; 90 | 3753 | Iturmendi, Amaia; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Oro, Luis A. A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: the key role of an N-heterocyclic olefin Green Chemistry, 2018, 20, 4875 |
| 7231651 | CIF | C20 H22 F3 N O3 | P -1 | 8.318; 11.515; 11.539 61.6; 78.05; 75.08 | 934.8 | He, Yu-Tao; Kang, Dahye; Kim, Inwon; Hong, Sungwoo Metal-free photocatalytic trifluoromethylative pyridylation of unactivated alkenes Green Chemistry, 2018, 20, 5209 |
| 7231666 | CIF | C13.75 H12.5 N1.25 O1.25 S0.25 | P 1 21/c 1 | 8.6319; 18.0068; 7.8624 90; 99.001; 90 | 1207.03 | Xing, Zhimin; Yang, Mingyang; Sun, Haiyu; Wang, Zemin; Chen, Peng; Liu, Lin; Wang, Xiaolei; Xie, Xingang; She, Xuegong Visible-light promoted dithioacetalization of aldehydes with thiols under aerobic and photocatalyst-free conditions Green Chemistry, 2018, 20, 5117 |
| 7231667 | CIF | C51 H37 F12 N5 O9 Zn2 | C 1 2/c 1 | 27.538; 7.887; 23.328 90; 99.24; 90 | 5000.9 | Joharian, Monika; Morsali, Ali; Azhdari Tehrani, Alireza; Carlucci, Lucia; Proserpio, Davide M. Water-stable fluorinated metal‒organic frameworks (F-MOFs) with hydrophobic properties as efficient and highly active heterogeneous catalysts in aqueous solution Green Chemistry, 2018, 20, 5336 |
| 7231688 | CIF | C114 H126 N24 Nd4 O42 Zn3 | R -3 c | 17.8928; 17.8928; 69.099 90; 90; 120 | 19158.4 | Wang, Li; Zhang, Ruilian; Han, Qing-Xin; Xu, Cong; Chen, Wan-Min; Yang, Huan; Gao, Guoshu; Qin, Wenwu; Liu, Wei-Sheng Amide-functionalized heterometallic helicate cages as highly efficient catalysts for CO2 conversion under mild condition Green Chemistry, 2018 |
| 7231689 | CIF | C114 H126 Eu4 N24 O42 Zn3 | R -3 c | 17.8497; 17.8497; 68.762 90; 90; 120 | 18973.2 | Wang, Li; Zhang, Ruilian; Han, Qing-Xin; Xu, Cong; Chen, Wan-Min; Yang, Huan; Gao, Guoshu; Qin, Wenwu; Liu, Wei-Sheng Amide-functionalized heterometallic helicate cages as highly efficient catalysts for CO2 conversion under mild condition Green Chemistry, 2018 |
| 7231775 | CIF | C12 H11 N O2 S | P 1 21/c 1 | 11.1231; 11.9525; 8.5577 90; 99.993; 90 | 1120.48 | Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng Metal-free construction of primary sulfonamides through three diverse salts Green Chemistry, 2018, 20, 5469 |
| 7231898 | CIF | C16 H12 N2 O | P 1 21 1 | 3.9878; 12.0606; 24.7189 90; 93.93; 90 | 1186.07 | Mishra, Manisha; Twardy, Dylan; Ellstrom, Clifford; Wheeler, Kraig A.; Dembinski, Roman; Török, Béla Catalyst-free ambient temperature synthesis of isoquinoline-fused benzimidazoles from 2-alkynylbenzaldehydes via alkyne hydroamination Green Chemistry, 2019, 21, 99 |
| 7231899 | CIF | C17 H14 N2 | P 1 21/c 1 | 13.2669; 11.5841; 16.4623 90; 100.794; 90 | 2485.2 | Mishra, Manisha; Twardy, Dylan; Ellstrom, Clifford; Wheeler, Kraig A.; Dembinski, Roman; Török, Béla Catalyst-free ambient temperature synthesis of isoquinoline-fused benzimidazoles from 2-alkynylbenzaldehydes via alkyne hydroamination Green Chemistry, 2019, 21, 99 |
| 7231952 | CIF | C40 H36 N8 O4 S2 | P -1 | 10.651; 12.816; 14.137 100.211; 107.686; 101.151 | 1745.4 | Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K. A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer Green Chemistry, 2019, 21, 69 |
| 7231953 | CIF | C26 H26 N4 O2 | C 1 2/c 1 | 20.3152; 14.7532; 16.39 90; 110.119; 90 | 4612.6 | Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K. A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer Green Chemistry, 2019, 21, 69 |
| 7231954 | CIF | C22 H20 N4 O2 | P 1 21/c 1 | 10.9372; 9.1286; 35.781 90; 95.129; 90 | 3558.1 | Deb, Mohit L.; Borpatra, Paran J.; Baruah, Pranjal K. A one-pot catalyst/external oxidant/solvent-free cascade approach to pyrimidines via a 1,5-hydride transfer Green Chemistry, 2019, 21, 69 |
| 7231992 | CIF | C20 H26 Cl F6 Ir N3 O P | P n m a | 13.5409; 12.9814; 13.6168 90; 90; 90 | 2393.6 | Huang, Ming; Li, Yinwu; Liu, Jiahao; Lan, Xiao-Bing; Liu, Yan; Zhao, Cunyuan; Ke, Zhuofeng A bifunctional strategy for N-heterocyclic carbene-stabilized iridium complex-catalyzed N-alkylation of amines with alcohols in aqueous media Green Chemistry, 2019, 21, 219 |
| 7231993 | CIF | C37 H54 Cl N2 P2 Rh | R -3 c :H | 26.6194; 26.6194; 27.22 90; 90; 120 | 16703.8 | Lam, Raphael H.; McQueen, Caitlin M. A.; Pernik, Indrek; McBurney, Roy T.; Hill, Anthony F.; Messerle, Barbara A. Selective formylation or methylation of amines using carbon dioxide catalysed by a rhodium perimidine-based NHC complex Green Chemistry, 2019, 21, 538 |
| 7232134 | CIF | C8 H12 N2 O2 | P c a 21 | 13.4813; 8.2397; 6.9346 90; 90; 90 | 770.31 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232135 | CIF | C13 H23 N3 O2 | P 1 21/n 1 | 10.9982; 9.2785; 14.3717 90; 105.714; 90 | 1411.77 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232136 | CIF | C12 H21 N3 O2 | P 1 21/c 1 | 9.3632; 18.2488; 8.129 90; 114.812; 90 | 1260.76 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232137 | CIF | C13 H19 N3 | P 21 21 21 | 9.9385; 10.0425; 24.7502 90; 90; 90 | 2470.25 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232138 | CIF | C8 H14 N2 O3 | P 1 21/n 1 | 7.7428; 11.1556; 10.4925 90; 98.844; 90 | 895.52 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232139 | CIF | C9 H17 N3 O3 | P 1 21/n 1 | 8.1469; 10.0659; 12.9174 90; 104.799; 90 | 1024.16 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232140 | CIF | C23 H29 N3 | P 1 21/n 1 | 12.5296; 8.0939; 19.7181 90; 98.5378; 90 | 1977.52 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232141 | CIF | C16 H29 N3 O2 | P 1 21/c 1 | 14.3302; 9.2194; 12.9756 90; 104.588; 90 | 1659.02 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232142 | CIF | C13 H23 N3 O2 | C 1 c 1 | 10.3765; 13.1188; 11.2806 90; 114.605; 90 | 1396.17 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232143 | CIF | C15 H30 B F4 N3 | P 1 21/c 1 | 15.2506; 10.8267; 10.8569 90; 90.09; 90 | 1792.62 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232144 | CIF | C8 H13 N3 O2 | P 1 21/c 1 | 6.6679; 14.6889; 9.6025 90; 104.13; 90 | 912.05 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232145 | CIF | C19.5 H31.5 N3 O2 | P 1 21/c 1 | 14.6071; 41.9109; 14.5422 90; 117.159; 90 | 7921.1 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232146 | CIF | C16 H29 N3 O2 | P 41 | 11.8565; 11.8565; 24.0309 90; 90; 90 | 3378.2 | Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base–CO2 adducts Green Chemistry, 2019, 21, 640 |
| 7232175 | CIF | C27 H31 N O3 | P 1 21/c 1 | 10.8693; 19.0667; 11.8343 90; 102.11; 90 | 2398 | Chen, Ke; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo Metal-free synthesis of triarylated (Z)-nitrones via H2O-mediated 1,3-dipolar transfer under aerobic conditions Green Chemistry, 2019, 21, 675 |
| 7232200 | CIF | C27 H20 Cl2 N O P | P 1 21/n 1 | 9.594; 11.0586; 21.6374 90; 93.293; 90 | 2291.86 | Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions Green Chemistry, 2019, 21, 792 |
| 7232201 | CIF | C30 H27 Cl N O P | P 1 21/c 1 | 8.6081; 16.0745; 18.0657 90; 99.465; 90 | 2465.74 | Pan, Jiaoting; Zhao, Runmin; Guo, Jiami; Ma, Dumei; Xia, Ying; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen Three-component 3-(phosphoryl)methylindole synthesis from indoles, H-phosphine oxides and carbonyl compounds under metal-free conditions Green Chemistry, 2019, 21, 792 |
| 7232299 | CIF | C14 H10 N2 O | P 1 21/c 1 | 12.1056; 7.802; 11.6256 90; 97.574; 90 | 1088.43 | Senadi, Gopal Chandru; Kudale, Vishal Suresh; Wang, Jeh-Jeng Sustainable methine sources for the synthesis of heterocycles under metal- and peroxide-free conditions Green Chemistry, 2019, 21, 979 |
| 7232300 | CIF | C14 H9 F N2 O | P 1 21/c 1 | 12.4895; 7.7667; 11.5802 90; 96.718; 90 | 1115.59 | Senadi, Gopal Chandru; Kudale, Vishal Suresh; Wang, Jeh-Jeng Sustainable methine sources for the synthesis of heterocycles under metal- and peroxide-free conditions Green Chemistry, 2019, 21, 979 |
| 7232306 | CIF | C13 H9 N O3 | P -1 | 6.561; 7.0809; 12.0629 89.067; 87.281; 78.757 | 549.03 | Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones Green Chemistry, 2019, 21, 991 |
| 7232307 | CIF | C18 H12 F3 N O3 | P -1 | 6.7109; 9.819; 12.7318 75.919; 82.43; 80.639 | 799.18 | Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones Green Chemistry, 2019, 21, 991 |
| 7232308 | CIF | C18 H15 N O4 | P b c a | 6.04; 19.12; 26.355 90; 90; 90 | 3043.6 | Zhou, Hui; Mu, Sen; Ren, Bai-Hao; Zhang, Rui; Lu, Xiao-Bing Organocatalyzed carboxylative cyclization of propargylic amides with atmospheric CO2 towards oxazolidine-2,4-diones Green Chemistry, 2019, 21, 991 |
| 7232363 | CIF | C21 H14 F5 N3 O4 | P -1 | 8.2387; 9.1226; 15.647 78.884; 77.335; 63.875 | 1023.9 | Du, Xuan-Xuan; Zi, Quan-Xing; Wu, Yu-Meng; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao An environmentally benign multi-component reaction: regioselective synthesis of fluorinated 2-aminopyridines using diverse properties of the nitro group Green Chemistry, 2019, 21, 1505 |
| 7232364 | CIF | C23 H19 F5 N2 O2 | P -1 | 8.6308; 9.4049; 13.955 78.895; 81.887; 74.726 | 1067.4 | Du, Xuan-Xuan; Zi, Quan-Xing; Wu, Yu-Meng; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao An environmentally benign multi-component reaction: regioselective synthesis of fluorinated 2-aminopyridines using diverse properties of the nitro group Green Chemistry, 2019, 21, 1505 |
| 7232431 | CIF | C52 H28 Br16 N4 O9 V | P c a b | 20.733; 26.304; 28.112 90; 90; 90 | 15331 | Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R. Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media Green Chemistry, 2019, 21, 1757 |
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