Crystallography Open Database
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Searching journal of publication like 'Journal of Organic Chemistry'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4038885 | CIF | C48.05 H40 N4 O4 | P -1 | 7.7764; 16.2542; 17.3988 62.893; 87.319; 78.993 | 1919.58 | Beesu, 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 | CIF | C48 H34 N6 O4 | P -1 | 7.9652; 8.0725; 30.441 95.554; 95.804; 96.061 | 1925 | Beesu, 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 | CIF | C10 H7 Br2 F O2 S | P 1 21/n 1 | 7.12; 7.8736; 21.6656 90; 93.465; 90 | 1212.35 | Zhang, 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 | CIF | C15 H16 Cl F6 N3 | P 1 21 1 | 10.5346; 15.4968; 10.755 90; 110.95; 90 | 1639.71 | Dinh, 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 | CIF | C24 H21 N O3 | C 2 2 21 | 13.4355; 14.6914; 19.5353 90; 90; 90 | 3856 | Liu, 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 | CIF | C29 H23 N O2 | P -1 | 6.1618; 8.7522; 20.3805 88.042; 84.239; 78.625 | 1071.96 | Liu, 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 | CIF | C5 H3 Cl N4 | P 1 21/m 1 | 6.9527; 6.30259; 7.5416 90; 114.963; 90 | 299.6 | Korsik, 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 | CIF | C20 H19 N5 O | P -1 | 7.6546; 10.4869; 11.4484 71.511; 82.118; 82.695 | 859.9 | Korsik, 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 | CIF | C10 H13 N5 | P 1 21/c 1 | 9.27494; 8.81723; 12.0155 90; 92.8415; 90 | 981.41 | Korsik, 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 | CIF | C30 H50 O4 S Si2 | P 21 21 21 | 8.3608; 16.9291; 23.1401 90; 90; 90 | 3275.27 | Kim, 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 | CIF | C20 H15 N O | P 1 21/c 1 | 10.878; 17.189; 8.189 90; 107.049; 90 | 1463.9 | Shi, 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 | CIF | C38 H37 Cl2 N3 Pd | P 1 21 1 | 8.1816; 17.041; 12.2796 90; 107.688; 90 | 1631.12 | Kumar, 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 | CIF | C38 H36 Cl3 N3 Pd | P 1 21/c 1 | 21.7121; 21.2886; 16.5409 90; 111.614; 90 | 7108 | Kumar, 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 | CIF | C51 H47 Cl2 N2 P Pd | P 1 21/c 1 | 15.5895; 14.6791; 19.4121 90; 94.969; 90 | 4425.6 | Kumar, 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 | CIF | C24 H35 N O5 | C 1 2 1 | 20.1817; 5.8935; 21.8822 90; 108.294; 90 | 2471.14 | Zheng, 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 | CIF | C24 H34 N O5 | P 21 21 21 | 5.9728; 12.6582; 31.5671 90; 90; 90 | 2386.6 | Zheng, 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 | CIF | C49 H69 N O8 Si2 | P 21 21 21 | 10.1898; 20.428; 24.565 90; 90; 90 | 5113.4 | Zheng, 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 | CIF | C25 H35 N O7 | P 1 21 1 | 6.9385; 11.2966; 16.5485 90; 93.908; 90 | 1294.08 | Zheng, 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 | CIF | C45 H43 Br3 N O8 | P 21 21 21 | 5.1493; 24.3955; 34.606 90; 90; 90 | 4347.2 | Zheng, 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 | CIF | C29 H24 N2 O3 S | P 1 21/c 1 | 13.0523; 10.5054; 17.776 90; 98.567; 90 | 2410.2 | Ge, 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 | CIF | C22 H25 N O8 | P c a 21 | 21.1613; 8.9412; 10.6525 90; 90; 90 | 2015.5 | Zhao, 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 | CIF | C26 H33 N O10 | P 1 21/n 1 | 13.7326; 9.2331; 19.795 90; 94.273; 90 | 2502.9 | Zhao, 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 | CIF | C26 H31 N O10 | P 1 21/c 1 | 12.2847; 17.7579; 12.6581 90; 116.277; 90 | 2476 | Zhao, 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 | CIF | C27 H33 Cl2 N O10 | P -1 | 8.0864; 12.184; 15.082 104.931; 105.413; 92.31 | 1374.7 | Zhao, 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 | CIF | C23 H25 N O10 | P 1 21/c 1 | 10.3752; 9.7872; 21.5064 90; 100.142; 90 | 2149.73 | Zhao, 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 | CIF | C36 H48 N4 O2 | P -1 | 11.4151; 11.6462; 12.5464 94.5164; 93.3913; 106.558 | 1588 | Chaudhri, 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 | CIF | C36 H48 N4 O2 | P 1 21/n 1 | 16.1303; 11.074; 17.9593 90; 97.4689; 90 | 3180.8 | Chaudhri, 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 | CIF | C38 H54 N4 O2 | P c a 21 | 13.3711; 12.805; 20.1366 90; 90; 90 | 3447.7 | Chaudhri, 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 | CIF | C38 H54 N4 O2 | P -1 | 7.7374; 10.168; 11.5734 66.641; 84.803; 82.683 | 828.3 | Chaudhri, 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 | CIF | C36 H48 N4 O2 | P 1 | 8.6099; 13.0696; 15.3288 75.546; 85.851; 73.985 | 1605.48 | Chaudhri, 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 | CIF | C36 H48 N4 O2 | C 1 2/c 1 | 28.938; 15.8655; 16.4572 90; 120.87; 90 | 6485.4 | Chaudhri, 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 | CIF | C36 H50 N4 O2 | P 1 21/c 1 | 11.2338; 12.1485; 24.1749 90; 95.6697; 90 | 3283.1 | Chaudhri, 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 | CIF | C15 H18 O4 | P 21 21 21 | 9.5399; 9.9824; 13.668 90; 90; 90 | 1301.62 | Su, 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 | CIF | C29 H25 N3 O | P 1 21/c 1 | 9.5603; 15.4396; 14.7968 90; 92.646; 90 | 2181.79 | Mondal, 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 | CIF | C44 H29 N3 | P -1 | 11.7391; 12.2007; 13.0911 102.355; 103.287; 104.958 | 1686.84 | Mondal, 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 | CIF | C55 H80 N6 | P 1 21/c 1 | 18.7848; 30.833; 16.9686 90; 92.29; 90 | 9820.2 | Eaton, 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 | CIF | C30 H43 N3 O3 | P -1 | 11.406; 11.952; 12.014 87.77; 64.09; 89.1 | 1472.1 | Eaton, 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 | CIF | C11 H8 Cl2 O3 | P 21 21 21 | 9.0147; 10.9941; 11.1906 90; 90; 90 | 1109.08 | Norseeda, 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 | CIF | C12 H10 Cl2 O3 | P 1 21/c 1 | 10.818; 10.444; 10.9 90; 105.617; 90 | 1186.1 | Norseeda, 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 | CIF | C29 H35 Cl2 N3 O4 | P n a 21 | 9.4467; 28.7768; 10.3242 90; 90; 90 | 2806.59 | Blasco-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 | CIF | C29 H30 N2 O5 | P -1 | 9.6091; 10.3612; 12.9622 85.879; 77.215; 80.871 | 1241.7 | Cui, 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 | CIF | C19 H18 Cl N S2 | P 1 21/c 1 | 10.3387; 15.7767; 11.6622 90; 115.548; 90 | 1716.24 | Jia, 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 | CIF | C49 H38 N2 O5 S3 | P m c 21 | 23.974; 7.3487; 22.763 90; 90; 90 | 4010.3 | Hempe, 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 | CIF | C39.5 H29 N2 O4.5 S3 | P 1 21/n 1 | 15.6023; 16.9894; 25.0925 90; 96.251; 90 | 6611.8 | Hempe, 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 | CIF | C44 H30 D6 N2 O5 S4 | P -1 | 7.3353; 13.8284; 19.709 96.934; 93.806; 105.314 | 1904 | Hempe, 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 | CIF | C44 H34 N2 O4 S3 | I 1 2/a 1 | 13.751; 12.365; 20.967 90; 104.142; 90 | 3457 | Hempe, 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 | CIF | C47.5 H31 Cl3 N2 O6 S3 | P -1 | 7.3272; 13.9943; 21.5754 93.0414; 92.2764; 105.033 | 2130.31 | Hempe, 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 | CIF | C20 H21 N O2 | P 1 21/n 1 | 9.9355; 17.2277; 10.3753 90; 112.62; 90 | 1639.29 | Vershinin, 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 | CIF | C18 H17 N O2 | P 1 21 1 | 10.3223; 6.0857; 11.5807 90; 94.121; 90 | 725.6 | Shcherbakova, 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 | CIF | C19 H24 Cl N O | P 21 21 21 | 7.6019; 12.1084; 18.2856 90; 90; 90 | 1683.13 | Shcherbakova, 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 |
| 4038945 | CIF HKL | C20 H14 O6 | P -6 2 c | 13.3732; 13.3732; 10.8212 90; 90; 120 | 1676.01 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids. The Journal of organic chemistry, 2018, 83, 15426-15437 |
| 4038946 | CIF | C108 H162 N20 O26 S8 | P -1 | 11.154; 14.2902; 19.7538 100.214; 90.119; 95.774 | 3082.4 | Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes. The Journal of organic chemistry, 2017, 82, 8536-8547 |
| 4038947 | CIF | C10 H4 N4 S2 | P 1 21/c 1 | 7.8092; 17.4192; 6.8514 90; 95.335; 90 | 927.96 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038948 | CIF | C14 H4 N4 O2 S2 | P 1 21/n 1 | 3.8045; 9.6098; 16.4052 90; 92.4211; 90 | 599.25 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038949 | CIF | C25 H8 N8 S4 | P 1 2/c 1 | 13.1602; 12.283; 14.3308 90; 111.651; 90 | 2153.09 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038950 | CIF | C20 H8 N6 S3 | I -4 2 d | 16.3407; 16.3407; 19.0557 90; 90; 90 | 5088.22 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038951 | CIF | C109 H28 N12 S6 | P a -3 | 18.9035; 18.9035; 18.9035 90; 90; 90 | 6755 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038952 | CIF | C113 H16 N12 S12 | P a -3 | 19.504; 19.504; 19.504 90; 90; 90 | 7419.4 | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State. The Journal of organic chemistry, 2017, 82, 5034-5045 |
| 4038989 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 16.44; 17.2113; 14.4688 90; 116.005; 90 | 3679.5 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038990 | CIF HKL | C8 H4 N8 | P 21 21 21 | 4.9738; 12.2716; 14.6059 90; 90; 90 | 891.49 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038991 | CIF HKL | C8 H4 N8 | P -1 | 16.4145; 17.1201; 19.7351 76.729; 85.855; 89.965 | 5383 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038992 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 16.423; 17.1344; 25.7615 90; 97.989; 90 | 7178.9 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038993 | CIF HKL | C8 H4 N8 | P 1 21 1 | 4.9733; 12.1827; 14.5857 90; 92.319; 90 | 883 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038994 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 8.3082; 13.8805; 8.052 90; 100.967; 90 | 911.61 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038995 | CIF HKL | C8 H4 N8 | F d d 2 | 20.2505; 33.1064; 5.3773 90; 90; 90 | 3605.1 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038996 | CIF HKL | C8 H4 N8 | P 1 21/c 1 | 6.1658; 17.1862; 8.8111 90; 102.164; 90 | 912.72 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038997 | CIF HKL | C8 H4 N8 | P 1 21 1 | 7.4796; 5.1345; 11.9958 90; 104.155; 90 | 446.699 | Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D. Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives Journal of Organic Chemistry, 2022, 87, 6680-6694 |
| 4038998 | CIF HKL | C25.5 H20 O5.5 | C 2 2 21 | 18.3893; 18.6897; 12.66 90; 90; 90 | 4351.12 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4038999 | CIF HKL | C25 H12 O4 | P b c a | 12.8587; 8.9635; 30.2132 90; 90; 90 | 3482.34 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039000 | CIF HKL | C25 H12 O4 | P b c a | 12.955; 9.0569; 30.47 90; 90; 90 | 3575.1 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039001 | CIF HKL | C16 H16 O6 | P 1 21/n 1 | 3.8692; 13.0002; 13.4342 90; 92.021; 90 | 675.32 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039002 | CIF HKL | C12 H8 O2 | P 1 21/c 1 | 3.7666; 11.9321; 9.487 90; 90.18; 90 | 426.38 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039003 | CIF HKL | C13 H10 O2 | P n m a | 9.4974; 20.7529; 4.8353 90; 90; 90 | 953.03 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039004 | CIF HKL | C12 H4 Br4 O2 | P 1 21/n 1 | 4.8559; 10.7212; 12.4441 90; 98.773; 90 | 640.27 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039005 | CIF HKL | C12 H4 Cl4 O2 | P -1 | 7.4617; 10.9134; 11.5066 81.561; 74.206; 83.191 | 888.83 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039006 | CIF HKL | C16 H18 O2 | P 1 21/c 1 | 6.9048; 4.6436; 19.7929 90; 99.258; 90 | 626.36 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039007 | CIF HKL | C16 H16 O2 | P 1 21/n 1 | 5.1591; 11.0703; 10.7115 90; 95.006; 90 | 609.43 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039008 | CIF HKL | C16 H16 O2 | P 1 21/n 1 | 5.576; 10.2185; 10.9447 90; 90.06; 90 | 623.61 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039009 | CIF HKL | C22 H28 O2 | P b c a | 9.9404; 12.579; 15.1193 90; 90; 90 | 1890.52 | Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D. Diphenoquinone Redux Journal of Organic Chemistry, 2022, 87, 7673-7695 |
| 4039010 | CIF HKL | C16 H17 O2 | P -1 | 3.9361; 8.1328; 10.09 103.215; 98.917; 94.489 | 308.46 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039011 | CIF HKL | C28 H22 Cl4 O4 | P -1 | 7.7126; 8.7927; 10.319 97.989; 102.763; 115.573 | 593.39 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039012 | CIF HKL | C14 H11 Br2 O2 | P -1 | 7.8307; 8.1915; 10.2693 75.078; 76.037; 85.769 | 617.66 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039013 | CIF HKL | C22 H18 Cl4 O4 | C 1 2/m 1 | 19.7264; 6.2955; 8.8067 90; 110.054; 90 | 1027.37 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039014 | CIF HKL | C22 H18 Br4 O4 | C 1 2/m 1 | 19.8053; 6.3558; 9.0498 90; 109.266; 90 | 1075.38 | Néron, Sébastien; Morency, Mathieu; Malveau, Cédric; Maris, Thierry; Iftimie, Radu; Wuest, James D. Diphenoquinhydrones and Related Hydrogen-Bonded Charge-Transfer Complexes The Journal of organic chemistry, 2022, 87, 15796-15805 |
| 4039021 | CIF HKL | C6 H12 Cl2 N4 | P 1 21/c 1 | 9.4236; 14.5883; 9.7872 90; 94.083; 90 | 1342.07 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
| 4039022 | CIF HKL | C6 H14 Cl4 N4 | P n n m | 8.0533; 9.6682; 7.3499 90; 90; 90 | 572.27 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
| 4039023 | CIF HKL | C6 H8 N4 | P n a 21 | 10.7151; 7.784; 7.291 90; 90; 90 | 608.12 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
| 4039024 | CIF HKL | C6 H10 Cl2 N4 | P 1 21/n 1 | 5.3141; 7.3724; 11.3921 90; 99.436; 90 | 440.28 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
| 4039025 | CIF HKL | C6 H10 N4 | P 1 21/c 1 | 7.7694; 5.5029; 7.4694 90; 101.064; 90 | 313.41 | Johann O. E. Sosoe; Cédric Malveau; Thierry Maris; Radu Iftimie; James D. Wuest Refreshing the Legacy of Rudolf Nietzki: Benzene-1,2,4,5-tetramine and Related Compounds Journal of Organic Chemistry, 2023, 88, 16302-16314 |
| 4039027 | CIF HKL | C28 H46 N2 O7 | I 1 2 1 | 12.8992; 6.1645; 35.2338 90; 100.471; 90 | 2755.03 | Garsi, Jean-Baptiste; Aguiar, Pedro M.; Berger, Gilles; Maris, Thierry; Hanessian, Stephen Pseudodiproline (Pro-Cyp) Oligomers Fold into Helical Polyproline Type secondary structures Journal of Organic Chemistry, 2024, 89, 4283-4293 |
| 5000239 | CIF | C33 H50 O7 | P 21 21 21 | 7.5059; 14.199; 28.7786 90; 90; 90 | 3067.12 | Jiménez, Jorge I.; Yoshida, Wesley Y.; Scheuer, Paul J.; Lobkovsky, Emil; Clardy, Jon; Kelly, Michelle Honulactones: New Bishomoscalarane Sesterterpenes from the Indonesian Sponge Strepsichordaia aliena Journal of Organic Chemistry, 2000, 65, 6837-6840 |
| 5000243 | CIF | C19 H20 O7 | P -1 | 5.635; 10.53; 15.448 74.78; 82.51; 89.59 | 876.58 | Fahy, Eoin; Andersen, Raymond J.; Xu, Chang Fu; Clardy, Jon Annulins A and B, metabolites of the marine hydroid Garveia annulata The Journal of Organic Chemistry, 1986, 51, 5145-5148 |
| 5000245 | CIF | C25 H40 O5 | P 1 21 1 | 11.553; 9.759; 11.9 90; 114.56; 90 | 1220.29 | Capon, Robert J.; MacLeod, John K.; Willis, Anthony C. Trunculins A and B, norsesterterpene cyclic peroxides from a marine sponge, Latrunculia brevis Journal of Organic Chemistry, 1987, 52, 339-342 |
| 5000248 | CIF | C23 H31 Br O3 | P 1 21 1 | 8.545; 10.639; 11.994 90; 100.42; 90 | 1072.4 | Djura, Peter; Stierle, Donald B.; Sullivan, Brian; Faulkner, D. John; Arnold, Edward V.; Clardy, Jon Some metabolites of the marine sponges Smenospongia aurea and Smenospongia (Polyfibrospongia) echina Journal of Organic Chemistry, 1980, 45, 1435-1441} |
| 5000264 | CIF | C25 H40 O8 | P 1 21 1 | 11.816; 10.294; 21.255 90; 107.6; 90 | 2464.31 | Roussis, Vassilios; Wu, Zhongde; Fenical, William; Strobel, Scott A.; Van Duyne, Gregory D.; Clardy, Jon New anti-inflammatory pseudopterosins from the marine octocoral Pseudopterogorgia elisabethae Journal of Organic Chemistry, 1990, 55, 4916-4922 |
| 5000390 | CIF | C21 H21 F Si | P 1 21/c 1 | 16.6635; 7.8104; 14.4375 90; 101.079; 90 | 1844 | Dell, Steven; Ho, Douglas M.; Pascal, Jr., Robert A. in- and out-Cyclophanes Bearing Non-Hydrogen Bridgehead Substituents The Journal of Organic Chemistry, 1999, 64, 5626-5633 |
| 5000392 | CIF | C30 H27 F S3 Si | P 1 21/c 1 | 10.3293; 17.0485; 15.3155 90; 109.324; 90 | 2545.1 | Dell, Steven; Ho, Douglas M.; Pascal, Jr., Robert A. in- and out-Cyclophanes Bearing Non-Hydrogen Bridgehead Substituents The Journal of Organic Chemistry, 1999, 64, 5626-5633 |
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