Crystallography Open Database

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4038885 CIFC48.05 H40 N4 O4P -17.7764; 16.2542; 17.3988
62.893; 87.319; 78.993
1919.58Beesu, Mallesh; Mehta, Goverdhan
Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones
The Journal of Organic Chemistry, 2020
4038886 CIFC48 H34 N6 O4P -17.9652; 8.0725; 30.441
95.554; 95.804; 96.061
1925Beesu, Mallesh; Mehta, Goverdhan
Orthogonal Strapping of o-Haloaryl Ynones with Pyrazolones: A One-Pot, Domino Process toward Spiropyrazolones
The Journal of Organic Chemistry, 2020
4038887 CIFC10 H7 Br2 F O2 SP 1 21/n 17.12; 7.8736; 21.6656
90; 93.465; 90
1212.35Zhang, Zai-Wei; Wang, Shi-Meng; Fang, Wan-Yin; Lekkala, Ravindar; Qin, Hua-Li
A protocol for stereoselective construction of highly functionalized dienyl sulfonyl fluoride warheads.
The Journal of organic chemistry, 2020
4038888 CIFC15 H16 Cl F6 N3P 1 21 110.5346; 15.4968; 10.755
90; 110.95; 90
1639.71Dinh, Andrew N.; Maddox, Sean M.; Vaidya, Sagar D.; Saputra, Mirza A.; Nalbandian, Christopher J.; Gustafson, Jeffrey L.
Catalyst-Controlled Regioselective Chlorination of Phenols and Anilines through a Lewis Basic Selenoether Catalyst
The Journal of Organic Chemistry, 2020
4038889 CIFC24 H21 N O3C 2 2 2113.4355; 14.6914; 19.5353
90; 90; 90
3856Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui
One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium
The Journal of Organic Chemistry, 2020
4038890 CIFC29 H23 N O2P -16.1618; 8.7522; 20.3805
88.042; 84.239; 78.625
1071.96Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui
One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium
The Journal of Organic Chemistry, 2020
4038891 CIFC5 H3 Cl N4P 1 21/m 16.9527; 6.30259; 7.5416
90; 114.963; 90
299.6Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.
Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.
The Journal of organic chemistry, 2020
4038892 CIFC20 H19 N5 OP -17.6546; 10.4869; 11.4484
71.511; 82.118; 82.695
859.9Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.
Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.
The Journal of organic chemistry, 2020
4038893 CIFC10 H13 N5P 1 21/c 19.27494; 8.81723; 12.0155
90; 92.8415; 90
981.41Korsik, Marat; Tse, Edwin; Smith, David G.; Lewis, William; Rutledge, Peter J.; Todd, Matthew H.
Tele-substitution Reactions in the Synthesis of a Promising Class of 1,2,4-Triazolo[4,3-a]pyrazine-Based Antimalarials.
The Journal of organic chemistry, 2020
4038894 CIFC30 H50 O4 S Si2P 21 21 218.3608; 16.9291; 23.1401
90; 90; 90
3275.27Kim, Hyun Su; Park, Hyunkyung; Lim, Juhee; Lim, Changjin; Kim, Taewoo; Lee, Seungbeom; Hur, Joonseong; Sim, Jaehoon; Choi, Hyun Jin; Suh, Young-Ger
Collective Syntheses of Guaiane Sesquiterpenes: Stereoselective Syntheses of (+)-Dysodensiol F, (+)-10β,14-Dihydroxy-<i>allo</i>-aromadendrane, and (-)-Dendroside C Aglycon.
The Journal of organic chemistry, 2020
4038895 CIFC20 H15 N OP 1 21/c 110.878; 17.189; 8.189
90; 107.049; 90
1463.9Shi, Wei; Ma, Fang; Li, Pinhua; Wang, Lei; Miao, Tao
Visible-Light-Induced Decarboxylative Cyclization/Hydrogenation Cascade Reaction to Access Phenanthridin-6-yl(aryl)methanol by an Electron Donor‒Acceptor Complex
The Journal of Organic Chemistry, 2020
4038896 CIFC38 H37 Cl2 N3 PdP 1 21 18.1816; 17.041; 12.2796
90; 107.688; 90
1631.12Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.
Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes
The Journal of Organic Chemistry, 2020
4038897 CIFC38 H36 Cl3 N3 PdP 1 21/c 121.7121; 21.2886; 16.5409
90; 111.614; 90
7108Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.
Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes
The Journal of Organic Chemistry, 2020
4038898 CIFC51 H47 Cl2 N2 P PdP 1 21/c 115.5895; 14.6791; 19.4121
90; 94.969; 90
4425.6Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.
Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes
The Journal of Organic Chemistry, 2020
4038902 CIFC24 H35 N O5C 1 2 120.1817; 5.8935; 21.8822
90; 108.294; 90
2471.14Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran
The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.
The Journal of organic chemistry, 2020
4038903 CIFC24 H34 N O5P 21 21 215.9728; 12.6582; 31.5671
90; 90; 90
2386.6Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran
The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.
The Journal of organic chemistry, 2020
4038904 CIFC49 H69 N O8 Si2P 21 21 2110.1898; 20.428; 24.565
90; 90; 90
5113.4Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran
The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.
The Journal of organic chemistry, 2020
4038905 CIFC25 H35 N O7P 1 21 16.9385; 11.2966; 16.5485
90; 93.908; 90
1294.08Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran
The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.
The Journal of organic chemistry, 2020
4038906 CIFC45 H43 Br3 N O8P 21 21 215.1493; 24.3955; 34.606
90; 90; 90
4347.2Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran
The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.
The Journal of organic chemistry, 2020
4038907 CIFC29 H24 N2 O3 SP 1 21/c 113.0523; 10.5054; 17.776
90; 98.567; 90
2410.2Ge, Junying; Ding, Qiuping; Long, Xujing; Liu, Xuan; Peng, Yiyuan
Copper(II)-Catalyzed Domino Synthesis of 4-Benzenesulfonyl Isoxazoles from 2-Nitro-1,3-enynes, Amines, and Sodium Benzenesulfinate
The Journal of Organic Chemistry, 2020
4038908 CIFC22 H25 N O8P c a 2121.1613; 8.9412; 10.6525
90; 90; 90
2015.5Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin
Total Synthesis of Dactylicapnosines A and B.
The Journal of organic chemistry, 2020
4038909 CIFC26 H33 N O10P 1 21/n 113.7326; 9.2331; 19.795
90; 94.273; 90
2502.9Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin
Total Synthesis of Dactylicapnosines A and B.
The Journal of organic chemistry, 2020
4038910 CIFC26 H31 N O10P 1 21/c 112.2847; 17.7579; 12.6581
90; 116.277; 90
2476Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin
Total Synthesis of Dactylicapnosines A and B.
The Journal of organic chemistry, 2020
4038911 CIFC27 H33 Cl2 N O10P -18.0864; 12.184; 15.082
104.931; 105.413; 92.31
1374.7Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin
Total Synthesis of Dactylicapnosines A and B.
The Journal of organic chemistry, 2020
4038912 CIFC23 H25 N O10P 1 21/c 110.3752; 9.7872; 21.5064
90; 100.142; 90
2149.73Zhao, Yinjiao; Li, Yuda; Wang, Bei; Zhao, Jingfeng; Li, Liang; Luo, Xiao-Dong; Zhang, Hongbin
Total Synthesis of Dactylicapnosines A and B.
The Journal of organic chemistry, 2020
4038913 CIFC36 H48 N4 O2P -111.4151; 11.6462; 12.5464
94.5164; 93.3913; 106.558
1588Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian
Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins
The Journal of Organic Chemistry, 2020
4038914 CIFC36 H48 N4 O2P 1 21/n 116.1303; 11.074; 17.9593
90; 97.4689; 90
3180.8Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian
Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins
The Journal of Organic Chemistry, 2020
4038915 CIFC38 H54 N4 O2P c a 2113.3711; 12.805; 20.1366
90; 90; 90
3447.7Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian
Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins
The Journal of Organic Chemistry, 2020
4038916 CIFC38 H54 N4 O2P -17.7374; 10.168; 11.5734
66.641; 84.803; 82.683
828.3Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian
Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins
The Journal of Organic Chemistry, 2020
4038917 CIFC36 H48 N4 O2P 18.6099; 13.0696; 15.3288
75.546; 85.851; 73.985
1605.48Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian
Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins
The Journal of Organic Chemistry, 2020
4038918 CIFC36 H48 N4 O2C 1 2/c 128.938; 15.8655; 16.4572
90; 120.87; 90
6485.4Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian
Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins
The Journal of Organic Chemistry, 2020
4038919 CIFC36 H50 N4 O2P 1 21/c 111.2338; 12.1485; 24.1749
90; 95.6697; 90
3283.1Chaudhri, Nivedita; Zeller, Matthias; Brückner, Christian
Stepwise Reduction of Octaethyl-β,β′-dioxochlorin Isomers: Access to Structurally and Electronically Diverse Hydroporphyrins
The Journal of Organic Chemistry, 2020
4038920 CIFC15 H18 O4P 21 21 219.5399; 9.9824; 13.668
90; 90; 90
1301.62Su, Li-Hua; Geng, Chang-An; Li, Tian-Ze; Ma, Yun-Bao; Huang, Xiao-Yan; Zhang, Xue-Mei; Chen, Ji-Jun
Artatrovirenols A and B: Two Cagelike Sesquiterpenoids from Artemisia atrovirens
The Journal of Organic Chemistry, 2020
4038921 CIFC29 H25 N3 OP 1 21/c 19.5603; 15.4396; 14.7968
90; 92.646; 90
2181.79Mondal, Rajarshi; Lozada, Issiah B.; Stotska, Olha; Herbert, David E.
Catalytic Synthesis of Luminescent Pyrimidines via Acceptor-less Dehydrogenative Coupling
The Journal of Organic Chemistry, 2020
4038922 CIFC44 H29 N3P -111.7391; 12.2007; 13.0911
102.355; 103.287; 104.958
1686.84Mondal, Rajarshi; Lozada, Issiah B.; Stotska, Olha; Herbert, David E.
Catalytic Synthesis of Luminescent Pyrimidines via Acceptor-less Dehydrogenative Coupling
The Journal of Organic Chemistry, 2020
4038924 CIFC55 H80 N6P 1 21/c 118.7848; 30.833; 16.9686
90; 92.29; 90
9820.2Eaton, Mary C.; Knight, Brian J.; Brahmi, Robin; Ferreira, Ricardo B.; Catalano, Vincent J.; Rheingold, Arnold L.; Ghiviriga, Ion; Murray, Leslie J.
Synthetic Factors Governing Access to Tris(β-diketimine) Cyclophanes versus Tripodal Tri-β-aminoenones
The Journal of Organic Chemistry, 2020
4038925 CIFC30 H43 N3 O3P -111.406; 11.952; 12.014
87.77; 64.09; 89.1
1472.1Eaton, Mary C.; Knight, Brian J.; Brahmi, Robin; Ferreira, Ricardo B.; Catalano, Vincent J.; Rheingold, Arnold L.; Ghiviriga, Ion; Murray, Leslie J.
Synthetic Factors Governing Access to Tris(β-diketimine) Cyclophanes versus Tripodal Tri-β-aminoenones
The Journal of Organic Chemistry, 2020
4038926 CIFC11 H8 Cl2 O3P 21 21 219.0147; 10.9941; 11.1906
90; 90; 90
1109.08Norseeda, Krissada; Chaisan, Nattawadee; Thongsornkleeb, Charnsak; Tummatorn, Jumreang; Ruchirawat, Somsak
Correction to "Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters".
The Journal of organic chemistry, 2020
4038927 CIFC12 H10 Cl2 O3P 1 21/c 110.818; 10.444; 10.9
90; 105.617; 90
1186.1Norseeda, Krissada; Chaisan, Nattawadee; Thongsornkleeb, Charnsak; Tummatorn, Jumreang; Ruchirawat, Somsak
Correction to "Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters".
The Journal of organic chemistry, 2020
4038928 CIFC29 H35 Cl2 N3 O4P n a 219.4467; 28.7768; 10.3242
90; 90; 90
2806.59Blasco-Brusola, Alejandro; Vayá, Ignacio; Miranda, Miguel A.
Influence of the Linking Bridge on the Photoreactivity of Benzophenone-Thymine Conjugates.
The Journal of organic chemistry, 2020
4038929 CIFC29 H30 N2 O5P -19.6091; 10.3612; 12.9622
85.879; 77.215; 80.871
1241.7Cui, Hai-Lei; Liu, Si-Wei; Xiao, Xue
Synthesis of Tetrahydroindolizino[8,7-b]indole Derivatives in the Presence of Fe(OTf)3 or CF3SO3H through Intramolecular Dearomatization of Indole
The Journal of Organic Chemistry, 2020
4038930 CIFC19 H18 Cl N S2P 1 21/c 110.3387; 15.7767; 11.6622
90; 115.548; 90
1716.24Jia, Hongbin; Min, Deng; Guo, Tianyun; Wu, Mingzhong; Wang, Xiaolei; Liu, Jian; Tang, Shouchu
Dithiane Induced [3+2] Cycloaddition Tactic for the Convergent Synthesis of Dihydropyrrole and Pyrrole Derivatives.
The Journal of organic chemistry, 2020
4038931 CIFC49 H38 N2 O5 S3P m c 2123.974; 7.3487; 22.763
90; 90; 90
4010.3Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.
Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation
The Journal of Organic Chemistry, 2020
4038932 CIFC39.5 H29 N2 O4.5 S3P 1 21/n 115.6023; 16.9894; 25.0925
90; 96.251; 90
6611.8Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.
Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation
The Journal of Organic Chemistry, 2020
4038933 CIFC44 H30 D6 N2 O5 S4P -17.3353; 13.8284; 19.709
96.934; 93.806; 105.314
1904Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.
Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation
The Journal of Organic Chemistry, 2020
4038934 CIFC44 H34 N2 O4 S3I 1 2/a 113.751; 12.365; 20.967
90; 104.142; 90
3457Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.
Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation
The Journal of Organic Chemistry, 2020
4038935 CIFC47.5 H31 Cl3 N2 O6 S3P -17.3272; 13.9943; 21.5754
93.0414; 92.2764; 105.033
2130.31Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.
Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation
The Journal of Organic Chemistry, 2020
4038940 CIFC20 H21 N O2P 1 21/n 19.9355; 17.2277; 10.3753
90; 112.62; 90
1639.29Vershinin, Vlada; Forkosh, Hagit; Ben-Lulu, Mor; Libman, Anna; Pappo, Doron
Mechanistic Insights into the FeCl<sub>3</sub>-Catalyzed Oxidative Cross-Coupling of Phenols with 2-Aminonaphthalenes.
The Journal of organic chemistry, 2020, 86, 79-90
4038943 CIFC18 H17 N O2P 1 21 110.3223; 6.0857; 11.5807
90; 94.121; 90
725.6Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.
Bicyclic Piperidines <i>via</i> [2 + 2] Photocycloaddition.
The Journal of organic chemistry, 2020
4038944 CIFC19 H24 Cl N OP 21 21 217.6019; 12.1084; 18.2856
90; 90; 90
1683.13Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.
Bicyclic Piperidines <i>via</i> [2 + 2] Photocycloaddition.
The Journal of organic chemistry, 2020

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