Crystallography Open Database

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1554341 CIFC20 H22 Cl N O4P 1 21/n 117.278; 12.6989; 17.255
90; 102.191; 90
3700.6Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.
Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines
Organic Chemistry Frontiers, 2018, 5, 2171
1554342 CIFC20 H26 Cl N O4P 1 21/n 116.127; 7.209; 16.3705
90; 91.08; 90
1902.89Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.
Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines
Organic Chemistry Frontiers, 2018, 5, 2171
1554343 CIFC20 H23 N O2P 1 21/n 110.2096; 12.8487; 12.9425
90; 107.01; 90
1623.53Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.
Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines
Organic Chemistry Frontiers, 2018, 5, 2171
1554344 CIFC24 H24 O5 SP -15.5872; 13.9109; 14.4106
112.533; 98.978; 94.422
1010.3Cui, Zhiming; Zhu, Baofu; Li, Xuechen; Cao, Hua
Access to sulfonylated furans or imidazo[1,2-a]pyridines via a metal-free three-component, domino reaction
Organic Chemistry Frontiers, 2018, 5, 2219
1554345 CIFC20 H19 N O4P 1 21/n 110.194; 14.232; 12.523
90; 106.045; 90
1746.1Jia, Xiaodong; Hou, Wentao; Chen, Qian; Yuan, Yu; Sun, Jing; He, Kaixuan
Oxidation of active sp3C–H bonds initiated consecutive intermolecular/intramolecular cyclization between glycine derivatives ando-vinylphenols: construction of a polycyclic benzofuroquinoline skeleton
Organic Chemistry Frontiers, 2018, 5, 2479
1554346 CIFC20 H20 N2 O5P -19.1376; 9.5813; 10.8392
105.957; 95.789; 98.506
892.32Jia, Xiaodong; Hou, Wentao; Chen, Qian; Yuan, Yu; Sun, Jing; He, Kaixuan
Oxidation of active sp3C–H bonds initiated consecutive intermolecular/intramolecular cyclization between glycine derivatives ando-vinylphenols: construction of a polycyclic benzofuroquinoline skeleton
Organic Chemistry Frontiers, 2018, 5, 2479
1554347 CIFC11 H10 N OP 1 21/n 121.194; 8.4619; 27.57
90; 109.98; 90
4647Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin
Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect
Organic Chemistry Frontiers, 2018, 5, 2296
1554348 CIFC24 H21 N O2P 1 21/n 110.9697; 16.013; 13.031
90; 105.898; 90
2201.4Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin
Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect
Organic Chemistry Frontiers, 2018, 5, 2296
1554349 CIFC5.5 H5.62 N0.12 O0.5F d d d :224.1341; 25.4123; 26.638
90; 90; 90
16337.2Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin
Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect
Organic Chemistry Frontiers, 2018, 5, 2296
1554350 CIFC34 H33 N O3P -19.4355; 10.2231; 17.9161
87.132; 84.213; 68.822
1603.09Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin
Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect
Organic Chemistry Frontiers, 2018, 5, 2296
1554351 CIFC45 H68 N2 O2I 41/a :240.9015; 40.9015; 9.3338
90; 90; 90
15614.8Mahoney, Janell K.; Regnier, Vianney; Romero, Erik A.; Molton, Florian; Royal, Guy; Jazzar, Rodolphe; Martin, David; Bertrand, Guy
The serendipitous discovery of a readily available redox-bistable molecule derived from cyclic(alkyl)(amino)carbenes
Organic Chemistry Frontiers, 2018, 5, 2073
1554352 CIFC56 H78 B2 F8 Fe N2 O2C 1 2/c 121.6194; 10.6383; 26.8304
90; 95.299; 90
6144.4Mahoney, Janell K.; Regnier, Vianney; Romero, Erik A.; Molton, Florian; Royal, Guy; Jazzar, Rodolphe; Martin, David; Bertrand, Guy
The serendipitous discovery of a readily available redox-bistable molecule derived from cyclic(alkyl)(amino)carbenes
Organic Chemistry Frontiers, 2018, 5, 2073
1554353 CIFC47 H71 B2 F8 N3 O2P 1 21/n 121.3381; 10.2919; 24.6126
90; 111.615; 90
5025.1Mahoney, Janell K.; Regnier, Vianney; Romero, Erik A.; Molton, Florian; Royal, Guy; Jazzar, Rodolphe; Martin, David; Bertrand, Guy
The serendipitous discovery of a readily available redox-bistable molecule derived from cyclic(alkyl)(amino)carbenes
Organic Chemistry Frontiers, 2018, 5, 2073
1554354 CIFC19 H28 O7P 1 21 16.4711; 15.6577; 9.2786
90; 90.334; 90
940.12Hu, Zheng-Xi; Xu, Hou-Chao; Hu, Kun; Liu, Miao; Li, Xiao-Nian; Li, Xing-Ren; Du, Xue; Zhang, Yong-Hui; Puno, Pema-Tenzin; Sun, Han-Dong
Structurally diverse diterpenoids from Isodon pharicus
Organic Chemistry Frontiers, 2018, 5, 2379
1554355 CIFC20 H32 O5P 21 21 216.6084; 11.8396; 22.9114
90; 90; 90
1792.61Hu, Zheng-Xi; Xu, Hou-Chao; Hu, Kun; Liu, Miao; Li, Xiao-Nian; Li, Xing-Ren; Du, Xue; Zhang, Yong-Hui; Puno, Pema-Tenzin; Sun, Han-Dong
Structurally diverse diterpenoids from Isodon pharicus
Organic Chemistry Frontiers, 2018, 5, 2379
1554356 CIFC14 H11 N S2P 1 21/n 17.2615; 11.8328; 14.2292
90; 94.546; 90
1218.78Tan, Wei; Wang, Cuihong; Jiang, Xuefeng
Green carbon disulfide surrogateviaa combination of potassium sulfide and chloroform for benzothiazine-thione and benzothiazole-thione construction
Organic Chemistry Frontiers, 2018, 5, 2390
1554357 CIFC15 H13 N S2P 1 21/c 18.3766; 6.2895; 25.7206
90; 95.618; 90
1348.57Tan, Wei; Wang, Cuihong; Jiang, Xuefeng
Green carbon disulfide surrogateviaa combination of potassium sulfide and chloroform for benzothiazine-thione and benzothiazole-thione construction
Organic Chemistry Frontiers, 2018, 5, 2390
1554358 CIFC20 H22 O5P 1 21 112.874; 4.9; 13.9299
90; 93.36; 90
877.22Cheng, Yuyu; Fang, Zhiqiang; Li, Wenjun; Li, Pengfei
Phosphine-mediated enantioselective [4 + 1] annulations between ortho-quinone methides and Morita–Baylis–Hillman carbonates
Organic Chemistry Frontiers, 2018, 5, 2728
1554359 CIFC21 H31 B2 N O4P -19.6906; 10.9669; 11.5436
70.045; 86.183; 84.832
1147.6Gao, Guoliang; Kuang, Zhijie; Song, Qiuling
Functionalized geminal-diborylalkanes from various electron-deficient alkynes and B2pin2
Organic Chemistry Frontiers, 2018, 5, 2249
1554360 CIFC30 H42 B2 O5P -110.0513; 15.5408; 19.0622
88.904; 83.3; 87.795
2954.8Gao, Guoliang; Kuang, Zhijie; Song, Qiuling
Functionalized geminal-diborylalkanes from various electron-deficient alkynes and B2pin2
Organic Chemistry Frontiers, 2018, 5, 2249
1554361 CIFC28 H31 Cl3 N2 PdP 1 21/n 110.3174; 12.4692; 20.4932
90; 96.89; 90
2617.4Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan
Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides
Organic Chemistry Frontiers, 2018, 5, 2484
1554362 CIFC28 H31 Cl N2 O PdP -110.0241; 11.2921; 11.727
92.4; 105.358; 106.802
1215.24Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan
Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides
Organic Chemistry Frontiers, 2018, 5, 2484
1554363 CIFC28 H28 Cl F3 N2 PdP b c a18.6245; 13.7023; 22.6048
90; 90; 90
5768.7Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan
Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides
Organic Chemistry Frontiers, 2018, 5, 2484
1554364 CIFC48 H39 Cl N2 PdP b c a18.9753; 19.6328; 20.1865
90; 90; 90
7520.2Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan
Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides
Organic Chemistry Frontiers, 2018, 5, 2484
1554365 CIFC35 H32 Br N3 O3P 1 21 112.6497; 9.0221; 14.1532
90; 113.568; 90
1480.53Mei, Hongjiang; Lin, Lili; Shen, Bin; Liu, Xiaohua; Feng, Xiaoming
Highly enantioselective desymmetrization of prochiral cyclic α,α-dicyanoalkenes via the direct vinylogous Michael/cyclization domino reaction
Organic Chemistry Frontiers, 2018, 5, 2505
1554366 CIFC18 H15 N O2 SP 1 21/c 118.6922; 5.447; 14.5323
90; 92.936; 90
1477.68Shen, Wen-Bo; Zhou, Bo; Zhang, Zhi-Xin; Yuan, Han; Fang, Wei; Ye, Long-Wu
Gold-catalyzed cascade cyclization of N-propargyl ynamides: rapid access to functionalized indeno[1,2-c]pyrroles
Organic Chemistry Frontiers, 2018, 5, 2468
1554367 CIFC10 H9 N OP 1 21 17.5235; 5.5446; 10.2976
90; 99.85; 90
423.23Wu, Qi; Li, Yabo; Wang, Chenyang; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie
1,4-Refunctionalization of β-diketones to γ-keto nitriles via C–C single bond cleavage
Organic Chemistry Frontiers, 2018, 5, 2496
1554368 CIFC28 H17 F3 N2 O1.01P -17.933; 11.1848; 13.1762
72.919; 73.841; 84.499
1073.26Vivek Kumar, Sundaravel; Ellairaja, Sundaram; Satheesh, Vanaparthi; Sivasamy Vasantha, Vairathevar; Punniyamurthy, Tharmalingam
Rh-Catalyzed regioselective C‒H activation and C‒C bond formation: synthesis and photophysical studies of indazolo[2,3-a]quinolines
Organic Chemistry Frontiers, 2018, 5, 2630
1554369 CIFC43 H37 Cl3 N2 O2P 1 21 110.757; 12.558; 14.389
90; 99.306; 90
1918Lu, Yi-Nan; Ma, Chun; Lan, Jin-Ping; Zhu, Caiqiang; Mao, Yu-Jia; Mei, Guang-Jian; Zhang, Shu; Shi, Feng
Catalytic enantioselective and regioselective substitution of 2,3-indolyldimethanols with enaminones
Organic Chemistry Frontiers, 2018, 5, 2657
1554370 CIFC20 H18 O4C 1 2/c 122.7223; 5.7888; 25.159
90; 95.416; 90
3294.5Ma, Dengke; Song, Yulong; Fu, Chunling; Zhang, Fang; Guo, Yinlong; Huang, Xin; Ma, Shengming
E-Selective N-heterocyclic carbene-catalyzed reaction of aldehydes and butadienoates: effect of water and chloroform as the proton shuttle
Organic Chemistry Frontiers, 2018, 5, 2560
1554371 CIFC25 H22 Cl N O3 SP -110.2719; 10.4262; 11.7012
69.168; 73.012; 86.849
1118.45Wang, Hepan; Wang, Bingbing; Sun, Song; Cheng, Jiang
Copper-catalyzed radical Heck type cyclization: a three-component reaction of DABCO·(SO2)2, aryldiazonium tetrafluoroborates and dienes toward sulfonated benzo- seven-membered nitrogen heterocycles
Organic Chemistry Frontiers, 2018, 5, 2547
1554372 CIFC21 H19 Cl F N O6P -19.5372; 10.0615; 11.5029
74.116; 83.655; 71.87
1008.56Motornov, Vladimir A.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.
Fluoronitroalkenes in tandem [4 + 1]/[3 + 2]-cycloaddition: one-pot three-component assembly of fluorinated bicyclic nitroso acetals
Organic Chemistry Frontiers, 2018, 5, 2588
1554373 CIFC16 H14 Cl F N2 O6P 1 21/c 116.4649; 6.9417; 15.0372
90; 93.483; 90
1715.5Motornov, Vladimir A.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.
Fluoronitroalkenes in tandem [4 + 1]/[3 + 2]-cycloaddition: one-pot three-component assembly of fluorinated bicyclic nitroso acetals
Organic Chemistry Frontiers, 2018, 5, 2588
1554374 CIFC23 H31 N O2 SP -16.812; 11.371; 13.441
80.287; 84.84; 77.986
1002.1Han, Yulin; Ma, Shengming
Rhodium-catalyzed highly diastereoselective intramolecular [4 + 2] cycloaddition of 1,3-disubstituted allene-1,3-dienes
Organic Chemistry Frontiers, 2018, 5, 2680
1554375 CIFC18 H23 N O2 SP 1 21/c 110.6868; 20.2; 8.0112
90; 101.747; 90
1693.2Han, Yulin; Ma, Shengming
Rhodium-catalyzed highly diastereoselective intramolecular [4 + 2] cycloaddition of 1,3-disubstituted allene-1,3-dienes
Organic Chemistry Frontiers, 2018, 5, 2680
1554376 CIFC24 H30 O4P 1 21/c 18.9632; 26.894; 9.2793
90; 110.151; 90
2099.9Han, Yulin; Ma, Shengming
Rhodium-catalyzed highly diastereoselective intramolecular [4 + 2] cycloaddition of 1,3-disubstituted allene-1,3-dienes
Organic Chemistry Frontiers, 2018, 5, 2680
1554377 CIFC36 H34 N O6P 1 21 111.0672; 24.0508; 11.3892
90; 91.3083; 90
3030.73Yue, Jing-Fei; Ran, Guang-Yao; Yang, Xing-Xing; Du, Wei; Chen, Ying-Chun
Asymmetric Diels–Alder cycloadditions of benzofulvene-based 2,4-dienals via trienamine activation
Organic Chemistry Frontiers, 2018, 5, 2676
1554378 CIFC24 H26 N2 O3P 1 21 110.2146; 11.7243; 10.2644
90; 119.315; 90
1071.84Zhang, Zi-Jing; Song, Jin
An isothiourea-catalyzed asymmetric formal [4 + 2] cycloaddition of in situ generated azoalkenes with C1 ammonium enolates
Organic Chemistry Frontiers, 2018, 5, 2578
1554379 CIFC32 H27 N O5 SP -110.276; 12.5669; 13.0463
66.455; 73.203; 66.317
1397.8Zhang, Changyuan; Chen, Lianfen; Chen, Kai; Wang, Chuntao; Xu, Zurong; Jiang, Huanfeng; Zhu, Shifa
Cu(i)-Catalyzed stereoselective synthesis of trisubstituted Z-enol esters via interrupting the 1,3-O-transposition reaction
Organic Chemistry Frontiers, 2018, 5, 2510
1554380 CIFC29 H28 Cl N3 O7P 21 21 218.611; 11.3415; 28.819
90; 90; 90
2814.5Wei, Qinghua; Ma, Xiaochu; Chen, Jianghui; Niu, Li; Yang, Xi; Xia, Fei; Liu, Shunying
A triple-functionalised metal centre-catalyzed enantioselective multicomponent reaction
Organic Chemistry Frontiers, 2018, 5, 2799
1554381 CIFC29 H43 I Mg N2 OP -18.4477; 11.883; 15.889
97.79; 90.12; 96.968
1568.3Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538
1554382 CIFC50 H66 Mg2 N4P 1 21/c 112.5799; 19.2069; 20.3357
90; 102.473; 90
4797.6Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538
1554383 CIFC50 H66 Mg2 N4P n a 2121.9804; 19.3508; 11.283
90; 90; 90
4799.1Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538
1554384 CIFC46 H58 Mg N4P -111.0139; 11.3202; 18.565
75.316; 83.401; 62.905
1993.3Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538
1554385 CIFC54 H53 Mg N2P 1 21/c 111.4271; 17.954; 20.908
90; 93.495; 90
4281.6Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538
1554386 CIFC48 H49 Cl2 N2P c c n21.607; 13.2782; 14.0261
90; 90; 90
4024.1Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538
1554387 CIFC51 H55 I Mg N2 OC 1 2/c 125.689; 11.0511; 32.698
90; 105.996; 90
8923.3Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538
1554388 CIFC58 H76 Cl2 Mg2 N4P 1 21/c 111.9804; 15.2444; 15.0882
90; 95.298; 90
2743.8Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538
1554389 CIFC68 H96 B2 Mg2 N4 O6P -413.2295; 13.2295; 19.2267
90; 90; 90
3365.1Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538
1554390 CIFC18 H36 B2 O6P 1 21/c 110.58; 10.4047; 10.785
90; 118.687; 90
1041.5Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao
Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds
Organic Chemistry Frontiers, 2018, 5, 3538

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