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
4038945 CIF
HKL
C20 H14 O6P -6 2 c13.3732; 13.3732; 10.8212
90; 90; 120
1676.01Langis-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 CIFC108 H162 N20 O26 S8P -111.154; 14.2902; 19.7538
100.214; 90.119; 95.774
3082.4Beaudoin, 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 CIFC10 H4 N4 S2P 1 21/c 17.8092; 17.4192; 6.8514
90; 95.335; 90
927.96Langis-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 CIFC14 H4 N4 O2 S2P 1 21/n 13.8045; 9.6098; 16.4052
90; 92.4211; 90
599.25Langis-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 CIFC25 H8 N8 S4P 1 2/c 113.1602; 12.283; 14.3308
90; 111.651; 90
2153.09Langis-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 CIFC20 H8 N6 S3I -4 2 d16.3407; 16.3407; 19.0557
90; 90; 90
5088.22Langis-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 CIFC109 H28 N12 S6P a -318.9035; 18.9035; 18.9035
90; 90; 90
6755Langis-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 CIFC113 H16 N12 S12P a -319.504; 19.504; 19.504
90; 90; 90
7419.4Langis-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 N8P 1 21/c 116.44; 17.2113; 14.4688
90; 116.005; 90
3679.5Numez 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 N8P 21 21 214.9738; 12.2716; 14.6059
90; 90; 90
891.49Numez 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 N8P -116.4145; 17.1201; 19.7351
76.729; 85.855; 89.965
5383Numez 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 N8P 1 21/c 116.423; 17.1344; 25.7615
90; 97.989; 90
7178.9Numez 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 N8P 1 21 14.9733; 12.1827; 14.5857
90; 92.319; 90
883Numez 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 N8P 1 21/c 18.3082; 13.8805; 8.052
90; 100.967; 90
911.61Numez 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 N8F d d 220.2505; 33.1064; 5.3773
90; 90; 90
3605.1Numez 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 N8P 1 21/c 16.1658; 17.1862; 8.8111
90; 102.164; 90
912.72Numez 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 N8P 1 21 17.4796; 5.1345; 11.9958
90; 104.155; 90
446.699Numez 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 O5.5C 2 2 2118.3893; 18.6897; 12.66
90; 90; 90
4351.12Néron, 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 O4P b c a12.8587; 8.9635; 30.2132
90; 90; 90
3482.34Néron, 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 O4P b c a12.955; 9.0569; 30.47
90; 90; 90
3575.1Néron, 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 O6P 1 21/n 13.8692; 13.0002; 13.4342
90; 92.021; 90
675.32Néron, 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 O2P 1 21/c 13.7666; 11.9321; 9.487
90; 90.18; 90
426.38Néron, 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 O2P n m a9.4974; 20.7529; 4.8353
90; 90; 90
953.03Néron, 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 O2P 1 21/n 14.8559; 10.7212; 12.4441
90; 98.773; 90
640.27Néron, 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 O2P -17.4617; 10.9134; 11.5066
81.561; 74.206; 83.191
888.83Néron, 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 O2P 1 21/c 16.9048; 4.6436; 19.7929
90; 99.258; 90
626.36Néron, 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 O2P 1 21/n 15.1591; 11.0703; 10.7115
90; 95.006; 90
609.43Néron, 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 O2P 1 21/n 15.576; 10.2185; 10.9447
90; 90.06; 90
623.61Néron, 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 O2P b c a9.9404; 12.579; 15.1193
90; 90; 90
1890.52Néron, 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 O2P -13.9361; 8.1328; 10.09
103.215; 98.917; 94.489
308.46Néron, 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 O4P -17.7126; 8.7927; 10.319
97.989; 102.763; 115.573
593.39Néron, 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 O2P -17.8307; 8.1915; 10.2693
75.078; 76.037; 85.769
617.66Néron, 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 O4C 1 2/m 119.7264; 6.2955; 8.8067
90; 110.054; 90
1027.37Néron, 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 O4C 1 2/m 119.8053; 6.3558; 9.0498
90; 109.266; 90
1075.38Néron, 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 N4P 1 21/c 19.4236; 14.5883; 9.7872
90; 94.083; 90
1342.07Johann 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 N4P n n m8.0533; 9.6682; 7.3499
90; 90; 90
572.27Johann 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 N4P n a 2110.7151; 7.784; 7.291
90; 90; 90
608.12Johann 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 N4P 1 21/n 15.3141; 7.3724; 11.3921
90; 99.436; 90
440.28Johann 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 N4P 1 21/c 17.7694; 5.5029; 7.4694
90; 101.064; 90
313.41Johann 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 O7I 1 2 112.8992; 6.1645; 35.2338
90; 100.471; 90
2755.03Garsi, 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 CIFC33 H50 O7P 21 21 217.5059; 14.199; 28.7786
90; 90; 90
3067.12Jiménez, 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 CIFC19 H20 O7P -15.635; 10.53; 15.448
74.78; 82.51; 89.59
876.58Fahy, 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 CIFC25 H40 O5P 1 21 111.553; 9.759; 11.9
90; 114.56; 90
1220.29Capon, 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 CIFC23 H31 Br O3P 1 21 18.545; 10.639; 11.994
90; 100.42; 90
1072.4Djura, 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 CIFC25 H40 O8P 1 21 111.816; 10.294; 21.255
90; 107.6; 90
2464.31Roussis, 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 CIFC21 H21 F SiP 1 21/c 116.6635; 7.8104; 14.4375
90; 101.079; 90
1844Dell, 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 CIFC30 H27 F S3 SiP 1 21/c 110.3293; 17.0485; 15.3155
90; 109.324; 90
2545.1Dell, 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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