Crystallography Open Database

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7245794 CIFC16 H16 O SP 1 21/n 16.0752; 9.8777; 22.1887
90; 91.536; 90
1331.04Zhu, Can-Ming; Liang, Rong-Bin; Xiao, Yonghong; Zhou, Wei; Tong, Qing-Xiao; Zhong, Jian-Ji
Metal-free and site-selective α-C–H functionalization of tetrahydrofuran enabled by the photocatalytic generation of bromine radicals
Green Chemistry, 2023, 25, 960-965
7245933 CIFC4 H6.22 B0.22 F0.89 N0.89 Rh0.22I 41/a c d :215.9403; 15.9403; 31.662
90; 90; 90
8045.1Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao
Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins
Green Chemistry, 2023, 25, 1368-1379
7245934 CIFC13.5 H17 B0.5 Cl F2 N2 Rh0.5P 1 21/n 113.617; 17.292; 13.8897
90; 116.871; 90
2917.4Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao
Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins
Green Chemistry, 2023, 25, 1368-1379
7245935 CIFC127 H147 B2 Cl9 F8 N8 Rh2P 1 21/c 115.1914; 15.8408; 55.703
90; 93.157; 90
13384.2Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao
Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins
Green Chemistry, 2023, 25, 1368-1379
7245956 CIFC38 H29 N OP 1 21/n 19.7566; 23.006; 13.329
90; 109.053; 90
2827.9Zhuang, Hongfeng; Hou, Qin; Han, Feng; Lv, Haotian; Miao, Chengxia
Heteropolyacid catalyzed O-alkylation of oximes with alcohols via a carbocation in dimethyl carbonate and mechanism insight
Green Chemistry, 2023, 25, 310-317
7245973 CIFC22 H13 N O2 SP n a 2111.7823; 17.2564; 8.5563
90; 90; 90
1739.7Chen, Shiliu; Yan, Qinqin; Fan, Jie; Guo, Changyou; Li, Lijun; Liu, Zhong-Quan; Li, Zejiang
Photo-induced spirocyclization of biaryl ynones with ammonium thiocyanate: access to thiocyanate-featured spiro[5,5]trienones
Green Chemistry, 2023, 25, 153-160
7245974 CIFC26 H22 F3 N3P 1 21/n 19.705; 16.0805; 13.7744
90; 93.165; 90
2146.4Sharma, Himanshi; Kumar, Manoj; Sethi, Aaftaab; Poonam,; Rathi, Brijesh
Metal-free construction of aminated isoquinoline frameworks from 2-(2-oxo-2-arylethyl) benzonitrile in an aqueous medium
Green Chemistry, 2023, 25, 167-171
7246014 CIFC20 H19 I O6 SP 16.8727; 7.4757; 10.7012
75.161; 88.164; 77.878
519.48Peng, Chuxiong; Gu, Fengyan; Lin, Xiaofeng; Ding, Ning; Zhan, Qichen; Cao, Peng; Cao, Tao
Highly selective catalyst- and additive-free iodosulfonylation of cyclopropenes in water
Green Chemistry, 2023, 25, 671-677
7246049 CIFC13 H25 N O7 SP 21 21 217.9459; 13.5525; 15.5352
90; 90; 90
1672.9Kuhl, Nadine; Turnbull, Ben W. H.; Ji, Yining; Larson, Reed T.; Shevlin, Michael; Prier, Christopher K.; Chung, Cheol K.; Desmond, Richard; Guetschow, Erik; He, Cyndi Qixin; Itoh, Tetsuji; Kuethe, Jeffrey T.; Newman, Justin A.; Reibarkh, Mikhail; Rivera, Nelo R.; Shang, Gao; Wang, Zhixun; Zewge, Daniel; Thaisrivongs, David A.
Utilizing biocatalysis and a sulfolane-mediated reductive acetal opening to access nemtabrutinib from cyrene
Green Chemistry, 2023, 25, 606-613
7246050 CIFC13 H19 N O5 SP 21 21 216.1009; 12.5179; 19.3009
90; 90; 90
1474.02Kuhl, Nadine; Turnbull, Ben W. H.; Ji, Yining; Larson, Reed T.; Shevlin, Michael; Prier, Christopher K.; Chung, Cheol K.; Desmond, Richard; Guetschow, Erik; He, Cyndi Qixin; Itoh, Tetsuji; Kuethe, Jeffrey T.; Newman, Justin A.; Reibarkh, Mikhail; Rivera, Nelo R.; Shang, Gao; Wang, Zhixun; Zewge, Daniel; Thaisrivongs, David A.
Utilizing biocatalysis and a sulfolane-mediated reductive acetal opening to access nemtabrutinib from cyrene
Green Chemistry, 2023, 25, 606-613
7246051 CIFC23 H16 Fe O2P -16.7731; 10.9956; 12.2301
72.319; 75.206; 77.254
828.85Lv, Hong; Wang, Xinchao; Hao, Yanzhao; Ma, Chao; Li, Shangda; Li, Gang; Zhang, Jian
Rhodium(ii)-catalyzed C–H carboxylation of ferrocenes with CO2
Green Chemistry, 2023, 25, 554-559
7246052 CIFC18 H14 Fe O3P -110.4854; 11.7036; 12.3518
72.325; 79.087; 75.017
1384.97Lv, Hong; Wang, Xinchao; Hao, Yanzhao; Ma, Chao; Li, Shangda; Li, Gang; Zhang, Jian
Rhodium(ii)-catalyzed C–H carboxylation of ferrocenes with CO2
Green Chemistry, 2023, 25, 554-559
7246055 CIFC27 H22 Cl N O2 S SeP 1 21/n 111.9543; 8.3309; 24.4205
90; 102.103; 90
2377.98Satyanarayana, Appanapalli N. V.; Mukherjee, Nilanjana; Chatterjee, Tanmay
100% atom-economical and highly regio- and stereoselective iodosulfenylation of alkynes: a reagentless and sustainable approach to access (E)-β-iodoalkenyl sulfides and (Z)-tamoxifen
Green Chemistry, 2023, 25, 779-788
7246056 CIFC21 H14 I N S2I 1 2/a 117.9022; 6.0537; 34.1626
90; 91.27; 90
3701.45Satyanarayana, Appanapalli N. V.; Mukherjee, Nilanjana; Chatterjee, Tanmay
100% atom-economical and highly regio- and stereoselective iodosulfenylation of alkynes: a reagentless and sustainable approach to access (E)-β-iodoalkenyl sulfides and (Z)-tamoxifen
Green Chemistry, 2023, 25, 779-788
7246068 CIFC17 H16 Cl N3P -16.7166; 9.3699; 12.656
68.667; 79.026; 72.896
706Liu, Qingqing; Ci, Chenggang; Zhao, He; Xie, Rong; Jiang, HuanFeng; Zhang, Min
Direct access to functional phenazines via oxidative annulation of anilines and o-phenylenediamines with a reusable cobalt catalyst
Green Chemistry, 2023, 25, 678-683
7246122 CIFC13 H15 N O6C 1 2/c 125.911; 4.6748; 23.299
90; 104.436; 90
2733.1Das, Tamal Kanti; Rodriguez Treviño, Agustin M.; Pandiri, Sanjay; Irvankoski, Sini; Siitonen, Juha H.; Rodriguez, Sara M.; Yousufuddin, Muhammed; Kürti, László
Catalyst-free transfer hydrogenation of activated alkenes exploiting isopropanol as the sole and traceless reductant
Green Chemistry, 2023, 25, 746-754
7246123 CIFC13 H12 O4P -16.5868; 8.2313; 11.126
106.015; 97.159; 95.387
570.1Das, Tamal Kanti; Rodriguez Treviño, Agustin M.; Pandiri, Sanjay; Irvankoski, Sini; Siitonen, Juha H.; Rodriguez, Sara M.; Yousufuddin, Muhammed; Kürti, László
Catalyst-free transfer hydrogenation of activated alkenes exploiting isopropanol as the sole and traceless reductant
Green Chemistry, 2023, 25, 746-754
7246138 CIFC24 H20 F5 O4P -18.3761; 8.4007; 16.0336
98.767; 99.704; 91.221
1097.79Singh, Sanjay; Mondal, Sankalan; Vodnala, Nagaraju; Hazra, Chinmoy Kumar
Hydrogen bonding network-enabled Brønsted acid-catalyzed Friedel–Crafts reactions: a green approach to access unsymmetrical diaryl- and triarylmethanes
Green Chemistry, 2023, 25, 1014-1022
7246139 CIFC18 H22 O4P 1 21/n 17.0243; 20.574; 11.0931
90; 91.591; 90
1602.5Singh, Sanjay; Mondal, Sankalan; Vodnala, Nagaraju; Hazra, Chinmoy Kumar
Hydrogen bonding network-enabled Brønsted acid-catalyzed Friedel–Crafts reactions: a green approach to access unsymmetrical diaryl- and triarylmethanes
Green Chemistry, 2023, 25, 1014-1022
7246144 CIFC18 H18 O9P 1 21/c 118.6508; 5.8796; 14.7464
90; 94.7151; 90
1611.61Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.
Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions
Green Chemistry, 2023, 25, 1045-1055
7246145 CIFC37 H30 O10P -110.361; 13.355; 13.4649
62.271; 70.487; 70.729
1520.04Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.
Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions
Green Chemistry, 2023, 25, 1045-1055
7246146 CIFC21 H24 O11P 1 21/n 110.5648; 16.247; 12.4776
90; 110.308; 90
2008.6Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.
Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions
Green Chemistry, 2023, 25, 1045-1055
7246147 CIFC39 H35 N O10P 1 21/c 19.1956; 33.6799; 10.508
90; 97.813; 90
3224.19Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.
Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions
Green Chemistry, 2023, 25, 1045-1055
7246166 CIFC19 H19 N O3P b c a18.0732; 8.28431; 20.8875
90; 90; 90
3127.36Wei, Wan-Jie; Zhan, Lei; Jiang, Cai-Na; Tang, Hai-Tao; Pan, Ying-Ming; Ma, Xian-Li; Mo, Zu-Yu
Electrochemical oxidative cascade cyclization of olefinic amides and alcohols leading to the synthesis of alkoxylated 4H-3,1-benzoxazines and indolines
Green Chemistry, 2023, 25, 928-933
7246185 CIFC27 H27 N OP 21 21 217.7837; 31.1021; 8.6447
90; 90; 90
2092.79Luo, Yu; Wang, Xilong; Liu, Qianwen; He, Yimiao; Li, Jing; Luo, Shuang; Zhu, Qiang
Palladium-catalyzed alkyne hydrocarbonylation under atmospheric pressure of carbon monoxide in the presence of hydrosilane
Green Chemistry, 2023, 25, 1120-1127
7246186 CIFC25 H29 N OP 1 21 111.2; 7.8745; 11.8582
90; 103.292; 90
1017.81Luo, Yu; Wang, Xilong; Liu, Qianwen; He, Yimiao; Li, Jing; Luo, Shuang; Zhu, Qiang
Palladium-catalyzed alkyne hydrocarbonylation under atmospheric pressure of carbon monoxide in the presence of hydrosilane
Green Chemistry, 2023, 25, 1120-1127
7246229 CIFC9 H5 N3 OP 1 21/n 13.7252; 11.5014; 18.9837
90; 91.706; 90
813Li, Xin; Zarganes-Tzitzikas, Tryfon; Kurpiewska, Katarzyna; Dömling, Alexander
Amenamevir by Ugi-4CR
Green Chemistry, 2023, 25, 1322-1325
7246230 CIFC24 H26 N4 O5 SI 1 2/a 119.6089; 13.7807; 17.823
90; 101.936; 90
4712.08Li, Xin; Zarganes-Tzitzikas, Tryfon; Kurpiewska, Katarzyna; Dömling, Alexander
Amenamevir by Ugi-4CR
Green Chemistry, 2023, 25, 1322-1325
7246286 CIFC24 H16 F5 O2 PP 1 21/c 118.8874; 6.1813; 17.2323
90; 91.402; 90
2011.2Chu, Xue-Qiang; Cai, Song-Zhou; Chen, Jia-Wei; Yu, Zi-Lun; Ma, Mengtao; Walsh, Patrick J.; Shen, Zhi-Liang
Defluorophosphorylation of fluoroalkyl peroxides for the synthesis of highly substituted furans
Green Chemistry, 2023, 25, 2000-2010
7246287 CIFC36 H25 F5 O3 P2P -111.345; 12.0953; 14.1162
89.245; 77.498; 62.787
1673.55Chu, Xue-Qiang; Cai, Song-Zhou; Chen, Jia-Wei; Yu, Zi-Lun; Ma, Mengtao; Walsh, Patrick J.; Shen, Zhi-Liang
Defluorophosphorylation of fluoroalkyl peroxides for the synthesis of highly substituted furans
Green Chemistry, 2023, 25, 2000-2010
7246321 CIFC31 H22 N4 O4 S2P -110.3322; 10.7423; 14.3583
97.245; 100.734; 116.704
1358.21Zhang, Zhicheng; Wen, Linzi; Xu, Shihai; Tang, Yu; Cao, Xiaohui; Feng, Pengju
Consecutive cross-dehydrogenative C–O and C–N construction for the synthesis of polyarene with AIE properties under electrochemical condition involving oxygen radical species
Green Chemistry, 2023, 25, 2287-2292
7246353 CIFC25 H30 Fe K N2 O8P -19.877; 12.1262; 12.1406
66.668; 83.456; 83.448
1322.68Diment, Wilfred T.; Rosetto, Gloria; Ezaz-Nikpay, Noura; Kerr, Ryan W. F.; Williams, Charlotte K.
A highly active, thermally robust iron(iii)/potassium(i) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations
Green Chemistry, 2023, 25, 2262-2267
7246354 CIFC23 H27 Fe N2 O6P 1 21/c 19.0238; 12.9234; 19.4802
90; 96.797; 90
2255.78Diment, Wilfred T.; Rosetto, Gloria; Ezaz-Nikpay, Noura; Kerr, Ryan W. F.; Williams, Charlotte K.
A highly active, thermally robust iron(iii)/potassium(i) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations
Green Chemistry, 2023, 25, 2262-2267
7246413 CIFC15 H10 I N OP 1 21/c 113.0551; 7.4021; 13.9932
90; 101.381; 90
1325.65Wu, Jianglong; Ma, Yinfeng; Wang, Yan; Wang, Chenyu; Luo, Hui; Li, Dianjun; Yang, Jinhui
Copper-catalyzed direct synthesis of 3-methylene-2-arylisoindolin-1-ones with calcium carbide as a surrogate of gaseous acetylene
Green Chemistry, 2023, 25, 3425-3430
7246418 CIFC20 H19 N O2P 439.58017; 9.58017; 33.7964
90; 90; 90
3101.82Feng, Tian; Zhu, Zile; Zhang, Dongmei; Wang, Siyi; Li, Ruopu; Zhu, Zhaolin; Zhang, Xinxing; Qiu, Youai
Electrochemical dual α,β-C(sp3)–H functionalization of cyclic N-aryl amines
Green Chemistry, 2023, 25, 2681-2689
7246419 CIFC16 H19 N O3 S2P 1 21/c 111.6432; 16.4149; 9.6857
90; 113.866; 90
1692.87Wang, Qian; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming; Duan, Wen-Gui; He, Mu-Xue
Electrochemically driven α-thiocarbamylation via a dehydrocoupling strategy of β-ketoesters with amines and CS2
Green Chemistry, 2023, 25, 2572-2576
7246425 CIFC20 H19 N OP 1 21/c 125.949; 10.787; 11.392
90; 101.972; 90
3119.4Wei, Minghui; Liu, Chengkou; Wang, Chang-Sheng; Li, Yuguang; Qiu, Peng; Dong, Quanxiao; Yang, Zhao; Fang, Zheng; Guo, Kai
Synthesis of pyrido[1,2-a]indol-6(7H)-ones via a visible light-photocatalyzed formal (4 + 2) cycloaddition of indole-derived bromides and alkenes or alkynes
Green Chemistry, 2023, 25, 2453-2457
7246452 CIFC13 H19 Cl2 NP 21 21 214.9594; 10.7311; 27.2017
90; 90; 90
1447.67Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming
Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization
Green Chemistry, 2023, 25, 4667-4673
7246453 CIFC13 H18 Br Cl F NP 1 21 14.8988; 10.7881; 13.7759
90; 98.02; 90
720.92Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming
Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization
Green Chemistry, 2023, 25, 4667-4673
7246454 CIFC14 H21 Br Cl NP 21 21 214.9604; 10.8195; 29.3754
90; 90; 90
1576.55Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming
Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization
Green Chemistry, 2023, 25, 4667-4673
7246455 CIFC14 H21 Br Cl NP 1 21 19.5543; 6.5919; 12.4634
90; 98.424; 90
776.49Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming
Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization
Green Chemistry, 2023, 25, 4667-4673
7246456 CIFC13 H18 Br Cl F NP 21 21 217.6197; 14.1232; 27.1001
90; 90; 90
2916.36Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming
Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization
Green Chemistry, 2023, 25, 4667-4673
7246457 CIFC13 H18 Br Cl F NP 1 21 14.8335; 26.095; 11.3444
90; 90.954; 90
1430.67Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming
Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization
Green Chemistry, 2023, 25, 4667-4673
7246458 CIFC13 H18 Br Cl F NP 21 21 214.7559; 10.6799; 28.6366
90; 90; 90
1454.53Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming
Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization
Green Chemistry, 2023, 25, 4667-4673
7246493 CIFC14 H13 N O2P b c a8.6581; 12.1447; 22.107
90; 90; 90
2324.6Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song
Synthesis of renewable isoindolines from bio-based furfurals
Green Chemistry, 2023, 25, 3297-3305
7246494 CIFC14 H12 Cl N O2P 1 21/c 113.6538; 9.0781; 10.6852
90; 108.522; 90
1255.83Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song
Synthesis of renewable isoindolines from bio-based furfurals
Green Chemistry, 2023, 25, 3297-3305
7246495 CIFC14 H11 N OP 1 21/n 15.9303; 7.6388; 23.149
90; 94.506; 90
1045.4Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song
Synthesis of renewable isoindolines from bio-based furfurals
Green Chemistry, 2023, 25, 3297-3305
7246496 CIFC14 H12 Br N O2P 21 21 215.4795; 11.4206; 19.3592
90; 90; 90
1211.48Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song
Synthesis of renewable isoindolines from bio-based furfurals
Green Chemistry, 2023, 25, 3297-3305
7246497 CIFC14 H12 Cl N3 O SP 1 21 110.7651; 4.8762; 13.0778
90; 106.91; 90
656.81Hommelsheim, Renè; Bausch, Sandra; van Nahl, Robin; Ward, Jas S.; Rissanen, Kari; Bolm, Carsten
Synthesis of 3-amino-substituted benzothiadiazine oxides by a palladium-catalysed cascade reaction
Green Chemistry, 2023, 25, 3021-3026
7246540 CIFC15 H20 Br N O2P -17.079; 9.363; 11.864
93.881; 97.142; 100.629
763.5Zhang, Zhongyi; Hou, Zhong-Wei; Chen, Hao; Li, Pinhua; Wang, Lei
Electrochemical electrophilic bromination/spirocyclization of N-benzyl-acrylamides to brominated 2-azaspiro[4.5]decanes
Green Chemistry, 2023, 25, 3543-3548

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