Crystallography Open Database

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7249223 CIFC13 H12 F3 N OP 1 21/n 110.6674; 10.095; 11.8549
90; 115.445; 90
1152.79Huang, Tao; Liu, Can; Yuan, Pan-Feng; Wang, Tao; Yang, Biao; Ma, Yao; Liu, Qiang
Radical cascade synthesis of γ-amino acids or γ-lactams via carboxyl-mediated intramolecular C–H amination
Green Chemistry, 2024, 26, 9859-9868
7249236 CIFC20 H33 N O4 SP 1 21/n 113.1602; 9.3426; 17.4352
90; 94.511; 90
2137.03Zhang, Ying; Li, Kai-Dian; Zhou, Chang-Quan; Xing, Zhi-Xi; Huang, Huan-Ming
Catalytic three-component carboamination of unactivated alkenes with primary sulfonamides
Green Chemistry, 2024, 26, 10434-10440
7249253 CIFC17 H14 SP -18.2038; 8.2643; 10.5638
105.06; 106.146; 103.841
625.76Qin, Shengxiang; Zhang, Yaqi; Jiang, Long; Tse, Man Kin; Chan, Albert S. C.; Qiu, Liqin
Acid-catalyzed regioselective remote heteroarylation of alkenes via CC bond migration
Green Chemistry, 2024, 26, 10299-10307
7249254 CIFC22 H35 Cl2 NP -17.639; 9.6446; 15.2699
90.88; 100.392; 102.199
1079.9Zheng, Cameron H. M.; Nadeau, Ben E.; Trajano, Heather L.; Schafer, Laurel L.
Exploiting natural complexity for substrate controlled regioselectivity and stereoselectivity in tantalum catalysed hydroaminoalkylation
Green Chemistry, 2024, 26, 9729-9736
7249255 CIFC44 H68 Cl2 N2P 21 21 217.0051; 18.9291; 36.914
90; 90; 90
4894.8Zheng, Cameron H. M.; Nadeau, Ben E.; Trajano, Heather L.; Schafer, Laurel L.
Exploiting natural complexity for substrate controlled regioselectivity and stereoselectivity in tantalum catalysed hydroaminoalkylation
Green Chemistry, 2024, 26, 9729-9736
7249290 CIFC54 H65 N2 O8P 21 21 219.7335; 13.0898; 38.4467
90; 90; 90
4898.5Zhang, Liming; Yang, Chen; Wang, Xinhai; Yang, Taixin; Yang, Dandan; Dou, Yingchao; Niu, Jun-Long
Enantioselective electrosynthesis of inherently chiral calix[4]arenes via a cobalt-catalyzed aryl C–H acyloxylation
Green Chemistry, 2024, 26, 10232-10239
7249291 CIFC31 H30 O4P -16.6573; 11.266; 16.8729
97.191; 93.243; 102.955
1218.88Yuan, Chengcheng; Liu, Guanru; Guan, Wenjing; Hang, Jinlin; Fang, Zheng; Liu, Chengkou; Guo, Kai
De novo synthesis of 6-6-5 fused systems through electrochemical decarboxylation and radical domino additions
Green Chemistry, 2024, 26, 10308-10313
7249350 CIFC21 H18 F N O3P 1 21/n 112.5984; 10.5934; 13.2326
90; 108.318; 90
1676.53Zi, Jingjing; Tang, Huiling; Wang, Dongyin; Li, Meng; Zhou, Yuxiang; Lv, Sihui; Liang, Deqiang; Shi, Lou
Electrochemically enabled dearomative [2 + 2] cycloadditions of indoles with alkynes to access cyclobutene-fused indolines
Green Chemistry, 2024, 26, 10397-10403
7249409 CIFC54 H38 Br2 N4 O4 S2P 21 21 219.2241; 10.399; 25.056
90; 90; 90
2403.4Wu, Yingtao; Guan, Xin; Jiao, Kehan; Zhao, Huaqiu; Li, Mingrui; Sun, Jiaqiong; Zheng, Guangfan; Zhang, Qian
Synthesis of axially chiral thiourea by NHC-catalyzed desymmetrizative amidation
Green Chemistry, 2024, 26, 10940-10949
7249417 CIFC16 H18 O4P 1 21/c 111.7049; 14.686; 8.72913
90; 110.758; 90
1403.12Chiu, Wei-Jung; Sun, Chung-Ming
Electrochemistry-enabled Rh-catalyzed regioselective [4 + 1] and [4 + 2] cycloaddition of benzoic acid with alkynyl esters/amides
Green Chemistry, 2024, 26, 10996-11002
7249418 CIFC20 H22 O4P -17.4776; 9.1826; 12.9115
83.847; 78.595; 81.772
857.25Chiu, Wei-Jung; Sun, Chung-Ming
Electrochemistry-enabled Rh-catalyzed regioselective [4 + 1] and [4 + 2] cycloaddition of benzoic acid with alkynyl esters/amides
Green Chemistry, 2024, 26, 10996-11002
7249451 CIFC28 H54 O6C 1 2 117.492; 4.754; 34.846
90; 98.42; 90
2866.5Gwóźdź, Magdalena; Markiewicz, Marta; Stolte, Stefan; Chrobok, Anna; Turner, David R.; Matuszek, Karolina; Brzęczek-Szafran, Alina
Biomass-derived polyol esters as sustainable phase change materials for renewable energy storage
Green Chemistry, 2024, 26, 11259-11271
7249452 CIFC40 H78 O6C 1 2 118.197; 4.763; 45.953
90; 93.13; 90
3976.9Gwóźdź, Magdalena; Markiewicz, Marta; Stolte, Stefan; Chrobok, Anna; Turner, David R.; Matuszek, Karolina; Brzęczek-Szafran, Alina
Biomass-derived polyol esters as sustainable phase change materials for renewable energy storage
Green Chemistry, 2024, 26, 11259-11271
7249476 CIFC21 H20 N O3 PP 1 21/c 110.5388; 19.0742; 9.8492
90; 107.023; 90
1893.13Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca L.; Wirth, Thomas
Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling
Green Chemistry, 2024, 26, 11722-11727
7249477 CIFC18 H16 N O PP c a 2116.9837; 9.6048; 9.6892
90; 90; 90
1580.55Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca L.; Wirth, Thomas
Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling
Green Chemistry, 2024, 26, 11722-11727
7249478 CIFC12 H11 O2 PP 1 21/c 111.4422; 6.0033; 15.6542
90; 100.064; 90
1058.76Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca L.; Wirth, Thomas
Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling
Green Chemistry, 2024, 26, 11722-11727
7249479 CIFC18 H15 O2 PP 1 21/n 19.2605; 11.3986; 14.1564
90; 93.665; 90
1491.25Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca L.; Wirth, Thomas
Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling
Green Chemistry, 2024, 26, 11722-11727
7249480 CIFC18 H16 N O2 PP 1 21/c 115.6012; 9.0207; 11.749
90; 107.452; 90
1577.4Boruah, Tribani; Ishizeki, Ren; Roldan, Alberto; Melen, Rebecca L.; Wirth, Thomas
Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling
Green Chemistry, 2024, 26, 11722-11727
7249546 CIFC18 H18 N2 O6 S2P 1 21/c 112.909; 10.4158; 15.096
90; 96.127; 90
2018.2Yang, Li-Hua; Li, Bei; Chen, Lin; Yao, Wen-Shi; Peng, Han-Yue; Peng, Sha; Xie, Long-Yong
Ball milling-promoting difunctionalization of alkynyl sulfonium salts with sulfinic acids towards (Z)-1,2-disulfonylethenes
Green Chemistry, 2024, 26, 12070-12075
7249547 CIFC29 H24 N4 O6 SP 1 21/c 112.7872; 14.4008; 15.0129
90; 111.431; 90
2573.4Shen, Yao-Bin; Zhuang, Qian-Hao; Wang, Xiao-Lin; An, Xiao-De; Qiu, Bin; Shi, Tiesheng; Xiao, Jian
EtOH-mediated cascade C(sp3)–H alkylation via aromatization-driven [1,6]-hydride transfer: green and divergent synthesis of spirocyclic azepino[4,3,2-cd]indoles
Green Chemistry, 2024, 26, 11899-11907
7249548 CIFC28 H24 N2 O3 S2P 1 21/c 113.5403; 19.974; 9.3867
90; 108.212; 90
2411.5Shen, Yao-Bin; Zhuang, Qian-Hao; Wang, Xiao-Lin; An, Xiao-De; Qiu, Bin; Shi, Tiesheng; Xiao, Jian
EtOH-mediated cascade C(sp3)–H alkylation via aromatization-driven [1,6]-hydride transfer: green and divergent synthesis of spirocyclic azepino[4,3,2-cd]indoles
Green Chemistry, 2024, 26, 11899-11907
7249549 CIFC28 H24 N2 O3 S2P 1 21/c 124.189; 8.6185; 11.782
90; 103.147; 90
2391.8Shen, Yao-Bin; Zhuang, Qian-Hao; Wang, Xiao-Lin; An, Xiao-De; Qiu, Bin; Shi, Tiesheng; Xiao, Jian
EtOH-mediated cascade C(sp3)–H alkylation via aromatization-driven [1,6]-hydride transfer: green and divergent synthesis of spirocyclic azepino[4,3,2-cd]indoles
Green Chemistry, 2024, 26, 11899-11907
7249550 CIFC35 H29 Br N4 O3 SP -111.497; 12.2004; 12.3148
78.604; 66.263; 73.732
1510.84Shen, Yao-Bin; Zhuang, Qian-Hao; Wang, Xiao-Lin; An, Xiao-De; Qiu, Bin; Shi, Tiesheng; Xiao, Jian
EtOH-mediated cascade C(sp3)–H alkylation via aromatization-driven [1,6]-hydride transfer: green and divergent synthesis of spirocyclic azepino[4,3,2-cd]indoles
Green Chemistry, 2024, 26, 11899-11907
7249575 CIFC61 H73.97 Co3 N8 O22P 63/m m c17.0841; 17.0841; 14.98
90; 90; 120
3786.4Ding, Wenyu; Tang, Xinyu; Jin, Sheng; Li, Zhao; Xu, Dongwei; Kang, Xiaomin; Liu, Zhiliang
High-efficient green catalytic conversion for waste CS2 by non-noble metal cage-based MOFs: An access to high-valued thiazolidine-2-thione
Green Chemistry, 2024
7249639 CIFC20 H16 F6 N6 O2P 1 21/n 15.9; 12.748; 28.745
90; 95.113; 90
2153.4Huang, Mengjun; Wang, Guoqiang; Li, Heyin; Zou, Zhenlei; Jia, Xingye; Karotsis, Georgios; Pan, Yi; Zhang, Weigang; Ma, Jing; Wang, Yi
EDA complex mediated [3+2] cyclization for the construction of CF3-oxadiazoles
Green Chemistry, 2024
7249662 CIFC10 H11 N O2P 1 21/c 115.5314; 4.1737; 14.2425
90; 90.82; 90
923.15Yuan, Yong; Liu, Xincong; Zhang, Feng; Bai, Chunyan; Tao, Yuyan; Bao, Xiazhen; Ji, Dongsheng; Huo, Congde
Electrochemical dehydrogenative annulation for the synthesis of 4-oxo-oxazolines
Green Chemistry, 2024
7249694 CIFC29 H23 N O3 SP b c n32.4449; 8.4715; 17.0615
90; 90; 90
4689.5Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng
Atom-economical and workup-free multiparticipation of p‑TsOH in yne-ynamides skeletal reshuffle: Access to regiospecific, chemospecific, and stereospecific (E)‑alkenyl sulfonate/ketone– tethered indoles
Green Chemistry, 2024
7249695 CIFC36 H29 N O5 S2P -110.0336; 11.9429; 13.2152
87.388; 78.345; 75.543
1501.8Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng
Atom-economical and workup-free multiparticipation of p‑TsOH in yne-ynamides skeletal reshuffle: Access to regiospecific, chemospecific, and stereospecific (E)‑alkenyl sulfonate/ketone– tethered indoles
Green Chemistry, 2024
7249707 CIFC17 H21 N O4P 1 21/c 112.2627; 8.4254; 16.0986
90; 101.59; 90
1629.36Lu, Jia-Min; Mao, Yihui; Guo, Qi-hang; Zhong, Chengcheng; Gao, Xian-Ge; Fang, Qun; Lu, Zhan
Metal-free stereoselective intramolecular oxyamination of al-kynes using a robotic and rapid photocatalytic synthesis and screening system
Green Chemistry, 2024
7249724 CIFC21 H20 N2 O6 SI 1 2/a 117.442; 11.311; 21.184
90; 101.197; 90
4099.76Yang, 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, 2024
7249740 CIFC15 H14 F3 N O2P 21 21 216.8059; 9.5499; 22.0878
90; 90; 90
1435.61Liang, Hanyu; Cao, Jiaxuan; Zhang, Hailong; Huang, Longjie; Liu, Siqi; Wu, Tianhao; Xiao, Xiao; Zhao, Baoguo
Direct Asymmetric α-C-H Functionalization of N-unprotected Allylamine Catalyzed by Chiral Pyridoxal
Green Chemistry, 2024
7249741 CIFC28 H27 Br F3 N O3P 21 21 215.8722; 15.561; 28.0723
90; 90; 90
2565.2Liang, Hanyu; Cao, Jiaxuan; Zhang, Hailong; Huang, Longjie; Liu, Siqi; Wu, Tianhao; Xiao, Xiao; Zhao, Baoguo
Direct Asymmetric α-C-H Functionalization of N-unprotected Allylamine Catalyzed by Chiral Pyridoxal
Green Chemistry, 2024
7249742 CIFC19 H28 B N O4 SP -19.7822; 10.6868; 11.0049
84.42; 63.871; 87.806
1027.98Xiang, Panjie; Sun, Kai; Shi, Anzai; An, Jiangzhen; Chen, Xiaolan; Qu, Lingbo; Yu, Bing
Visible-light-induced 1,3-difunctionalization of allylboronic esters enabled by 1,2-boron shift
Green Chemistry, 2024
7249746 CIFC26 H22 N2 O4P 1 21/c 114.31; 14.559; 10.188
90; 103.215; 90
2066.4Zakharova, Daria V.; Aysin, Rinat R.; Pavlov, Alexander A.; Khanin, Dmitriy; Platonova, Elena O.; Nelyubina, Yulia; Polezhaev, Alexander
Tandem Diels-Alder reaction overrules entropy: the gate to a thermally stable, yet thermally recyclable furan-based polymers
Green Chemistry, 2024
7249747 CIFC56 H54 N4 O11 SP 1 21/n 19.8335; 18.2519; 26.581
90; 90.016; 90
4770.8Zakharova, Daria V.; Aysin, Rinat R.; Pavlov, Alexander A.; Khanin, Dmitriy; Platonova, Elena O.; Nelyubina, Yulia; Polezhaev, Alexander
Tandem Diels-Alder reaction overrules entropy: the gate to a thermally stable, yet thermally recyclable furan-based polymers
Green Chemistry, 2024
7249748 CIFC10 H11 F I N O2P -17.585; 7.9584; 10.8239
100.883; 93.12; 118.456
556.16Zheng, Yongpeng; Wu, Yaodan; Li, Jianxiao; Wu, Wanqing; Yang, Shaorong; Qi, Chaorong; Jiang, Huanfeng
Palladium-catalyzed amination oxidation of electron-rich olefins in green media
Green Chemistry, 2024
7249811 CIFC26 H26 N2 O2P 1 21/n 17.8217; 28.8712; 10.016
90; 109.4; 90
2133.41Zhu, Yu; Lv, Xueli; Hong, Jun; Wu, Shengxing; Li, Zhi; Wang, Minyan; Jiang, Xinpeng
Amine-Promoted Three-Component Cycloaddition of Bicyclo[1.1.0]butanes with Hydroxylamine and Polyformaldehyde Expedient Access to 2-Oxa-3-azabicyclo[3.1.1]heptanes
Green Chemistry, 2024
7249812 CIFC22 H24 N2 O3P n a 2111.2419; 12.3869; 13.4125
90; 90; 90
1867.72Zhu, Yu; Lv, Xueli; Hong, Jun; Wu, Shengxing; Li, Zhi; Wang, Minyan; Jiang, Xinpeng
Amine-Promoted Three-Component Cycloaddition of Bicyclo[1.1.0]butanes with Hydroxylamine and Polyformaldehyde Expedient Access to 2-Oxa-3-azabicyclo[3.1.1]heptanes
Green Chemistry, 2024
7249880 CIFC20 H18 Br N2 O PP -16.9964; 8.4138; 17.0464
86.124; 89.703; 73.686
960.75Mukherjee, Debojyoti; Karmakar, Indrajit; Brahmachari, Goutam
Sono- and mechanochemical dual syntheses of bio-relevant aryldiazenyl-substituted phosphine oxides/phosphonates via P(O)-H functionalisation
Green Chemistry, 2024
7249897 CIFC23 H18 O2 SC 1 2/c 128.64; 6.895; 18.824
90; 95.56; 90
3700Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua
Photo-induced intramolecular alkyl/aryl group transfer and SO2 Insertion: A new strategy for the synthesis of 3‑(alkyl/arylsulfonyl)benzothiophenes
Green Chemistry, 2024
7249898 CIFC20 H20 O2 S2P 21 21 215.8241; 10.0409; 29.8544
90; 90; 90
1745.86Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua
Photo-induced intramolecular alkyl/aryl group transfer and SO2 Insertion: A new strategy for the synthesis of 3‑(alkyl/arylsulfonyl)benzothiophenes
Green Chemistry, 2024
7249899 CIFC28 H18 O2 S3P 1 21/n 112.6015; 14.4095; 13.064
90; 105.544; 90
2285.42Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua
Photo-induced intramolecular alkyl/aryl group transfer and SO2 Insertion: A new strategy for the synthesis of 3‑(alkyl/arylsulfonyl)benzothiophenes
Green Chemistry, 2024
7249936 CIFC76 H190 K O77 Ti29P -116.5381; 17.0084; 28.4386
85.261; 79.664; 68.022
7296.6Liu, Xinchun; Yuan, Yanpeng; Fu, Jiawei; Kong, Yuqing; Sun, Yinyong; Li, Xiaolin; Qu, Nan
Solid-Phase Synthesis of Titanium-Oxo Clusters and Their Unprecedented Catalytic Performance in Oxidative Desulfurization of Fuel Oil
Green Chemistry, 2024
7249937 CIFC21 H26 O5P 21 21 215.52413; 15.246; 22.0591
90; 90; 90
1857.84Kohyama, Aki; Namioka, Motoki; Naka, Hiroshi; Ashikari, Yosuke; Nagaki, Aiichiro; Takikawa, Hiroshi; Yamaoka, Yousuke; Takasu, Kiyosei
Continuous flow synthesis of cyclobutenes via lithium ynolates
Green Chemistry, 2024
7249952 CIFC14 H24 Cu N2 O12P 1 21/c 112.72; 21.515; 7.046
90; 92.062; 90
1927Correia, Gilvan; Franco, Chris Hebert Jesus; Kirillova, Marina; Gallou, Fabrice; Kirillov, Alexander
Adding value to terpenes: Copper-catalyzed oxidation of α-pinene in water under micellar conditions
Green Chemistry, 2024
7249953 CIFC19 H14 Cu2 N4 O14P -18.169; 9.891; 14.098
105.24; 96.014; 90.575
1092.2Correia, Gilvan; Franco, Chris Hebert Jesus; Kirillova, Marina; Gallou, Fabrice; Kirillov, Alexander
Adding value to terpenes: Copper-catalyzed oxidation of α-pinene in water under micellar conditions
Green Chemistry, 2024
7249954 CIFC26 H33 Cu3 N4 O19P -17.3749; 13.1591; 19.23
104.287; 96.867; 103.278
1729.1Correia, Gilvan; Franco, Chris Hebert Jesus; Kirillova, Marina; Gallou, Fabrice; Kirillov, Alexander
Adding value to terpenes: Copper-catalyzed oxidation of α-pinene in water under micellar conditions
Green Chemistry, 2024
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.; Anugam, Vamshi Krishna; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2024
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.; Anugam, Vamshi Krishna; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2024
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.; Anugam, Vamshi Krishna; Ramachary, Dhevalapally B.
Sustainable construction of value-added naphthoquinones for pharmaceuticals
Green Chemistry, 2024

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