Crystallography Open Database

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4028082 CIFC27 H20 N2 OP -18.5453; 12.4572; 19.0765
95.307; 98.94; 96.754
1979.4Lehao Huang; Qian Li; Chen Wang; Chenze Qi
Palladium(II)-Catalyzed Regioselective Arylation of Naphthylamides with Aryl Iodides Utilizing a Quinolinamide Bidentate System
Journal of Organic Chemistry, 2013, 78, 3030-3038
4028083 CIFC53 H56.5 N2 O4.25 S2P -115.0385; 15.1515; 20.2535
97.366; 101.544; 100.972
4372Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness
Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties
Journal of Organic Chemistry, 2013, 78, 2853-2862
4028084 CIFC74 H82 N2 O8 S2P 1 21/c 119.622; 20.8987; 16.5571
90; 113.399; 90
6231.3Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness
Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties
Journal of Organic Chemistry, 2013, 78, 2853-2862
4028085 CIFC75 H83 Cl3 N2 O8 S2P 1 21/c 120.9121; 13.3093; 24.3484
90; 107.082; 90
6477.8Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness
Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties
Journal of Organic Chemistry, 2013, 78, 2853-2862
4028086 CIFC18 H24 Br N O4 SP 1 21 19.4776; 10.8233; 19.093
90; 97.824; 90
1940.3Kimberly Geoghegan; Paul Evans
Double Reduction of Cyclic Aromatic Sulfonamides: Synthesis of (+)-Mesembrine and (+)-Mesembranol
Journal of Organic Chemistry, 2013, 78, 3410-3415
4028087 CIFC48 H40 N4 O3P 1 21/c 111.441; 21.855; 18.5306
90; 126.626; 90
3718.6Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner
Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)
Journal of Organic Chemistry, 2013, 78, 2840-2852
4028088 CIFC48.5 H38.5 N4.5 O4C 1 2/c 123.6921; 13.748; 25.7494
90; 117.234; 90
7457.3Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner
Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)
Journal of Organic Chemistry, 2013, 78, 2840-2852
4028089 CIFC47 H38 N4 O5 ZnP -112.5921; 12.9701; 14.85
111.992; 96.561; 97.727
2192.37Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner
Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)
Journal of Organic Chemistry, 2013, 78, 2840-2852
4028090 CIFC47 H40 N4 O4P 21 21 219.4468; 13.2846; 30.4999
90; 90; 90
3827.64Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner
Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)
Journal of Organic Chemistry, 2013, 78, 2840-2852
4028091 CIFC47 H40 N4 O4P 1 21/c 120.5804; 9.537; 19.1964
90; 91.8; 90
3765.92Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner
Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)
Journal of Organic Chemistry, 2013, 78, 2840-2852
4028092 CIFC49 H44 N4 O3P 1 21/c 120.332; 11.1841; 18.4019
90; 109.587; 90
3942.36Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner
Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)
Journal of Organic Chemistry, 2013, 78, 2840-2852
4028093 CIFC25.5 H30 Cl N3 O4C 1 2 129.031; 6.2194; 13.9536
90; 110.789; 90
2355.4Liang Xia; Sheng Li; Ruijiao Chen; Kai Liu; Xiaochuan Chen
Catalytic Ugi-Type Condensation of α-Isocyanoacetamide and Chiral Cyclic Imine: Access to Asymmetric Construction of Several Heterocycles
Journal of Organic Chemistry, 2013, 78, 3120-3131
4028094 CIFC24 H16 O4P n a 217.559; 19.638; 12.109
90; 90; 90
1798Guodong Yin; Tianbing Ren; Yin Rao; Yifan Zhou; Zhexian Li; Wenming Shu; Anxin Wu
Stereoselective Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Michael Addition/Bicyclization Reaction
Journal of Organic Chemistry, 2013, 78, 3132-3141
4028095 CIFC21 H20 O3 SP 1 21/n 111.5257; 9.4236; 17.54
90; 107.883; 90
1813Guodong Yin; Tianbing Ren; Yin Rao; Yifan Zhou; Zhexian Li; Wenming Shu; Anxin Wu
Stereoselective Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Michael Addition/Bicyclization Reaction
Journal of Organic Chemistry, 2013, 78, 3132-3141
4028096 CIFC20 H26 O10P 1 21 114.211; 8.2737; 19.509
90; 109.519; 90
2162Kavirayani R. Prasad; Phaneendra Gutala
Total Synthesis and Determination of the Absolute Configuration of 5,6-Dihydro-α-pyrone Natural Product Synargentolide B
Journal of Organic Chemistry, 2013, 78, 3313-3322
4028097 CIFC36 H48 N2 O2 Si2P -18.0198; 12.5842; 18.2924
88.317; 80.352; 72.342
1733.8Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz
Alkynylated Diazadioxaacenes: Syntheses and Properties
Journal of Organic Chemistry, 2013, 78, 3142-3150
4028098 CIFC32 H46 N2 O2 Si2P -18.1824; 13.9297; 15.7861
71.224; 77.184; 77.313
1639.5Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz
Alkynylated Diazadioxaacenes: Syntheses and Properties
Journal of Organic Chemistry, 2013, 78, 3142-3150
4028099 CIFC36 H48 N2 O2 Si2C 1 2/c 131.2074; 8.2678; 28.3232
90; 107.021; 90
6987.8Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz
Alkynylated Diazadioxaacenes: Syntheses and Properties
Journal of Organic Chemistry, 2013, 78, 3142-3150
4028100 CIFC40 H50 N2 O2 Si2C 1 2/c 134.075; 15.776; 14.143
90; 100.877; 90
7466Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz
Alkynylated Diazadioxaacenes: Syntheses and Properties
Journal of Organic Chemistry, 2013, 78, 3142-3150
4028101 CIFC40 H50 N2 O2 Si2P -18.4932; 17.857; 25.874
87.374; 81.836; 78.822
3810Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz
Alkynylated Diazadioxaacenes: Syntheses and Properties
Journal of Organic Chemistry, 2013, 78, 3142-3150
4028102 CIFC44 H52 N2 O2 Si2P 1 21/n 132; 7.9673; 34.764
90; 113.32; 90
8139Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz
Alkynylated Diazadioxaacenes: Syntheses and Properties
Journal of Organic Chemistry, 2013, 78, 3142-3150
4028103 CIFC22 H20 N4P -15.743; 9.43; 18.057
90.784; 94.855; 106.042
935.7Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian
Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives
Journal of Organic Chemistry, 2013, 78, 3222-3234
4028104 CIFC22 H20 N4P 1 21/c 16.149; 7.323; 40.953
90; 90.751; 90
1844Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian
Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives
Journal of Organic Chemistry, 2013, 78, 3222-3234
4028105 CIFC21 H19 N5P 1 21/c 16.439; 7.222; 39.313
90; 90.207; 90
1828.1Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian
Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives
Journal of Organic Chemistry, 2013, 78, 3222-3234
4028106 CIFC31 H25 N3P 1 21/n 112.286; 13.694; 15.58
90; 110.838; 90
2449.8Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian
Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives
Journal of Organic Chemistry, 2013, 78, 3222-3234
4028107 CIFC33 H31 N O3 SP 1 21 19.0919; 12.6482; 11.9258
90; 94.663; 90
1366.88Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan
Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones
Journal of Organic Chemistry, 2013, 78, 3183-3195
4028108 CIFC35 H33 N O4 SP 1 21 19.1148; 10.8578; 15.6645
90; 106.397; 90
1487.21Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan
Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones
Journal of Organic Chemistry, 2013, 78, 3183-3195
4028109 CIFC35 H33 N O4 SP 18.4185; 10.1636; 10.2129
94.193; 110.298; 113.931
725.441Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan
Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones
Journal of Organic Chemistry, 2013, 78, 3183-3195
4028110 CIFC38 H39 N O4 SP 110.8387; 12.1976; 13.2644
107.99; 92.021; 92.084
1664.8Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan
Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones
Journal of Organic Chemistry, 2013, 78, 3183-3195
4028111 CIFC34 H37 N O4 SP 21 21 2110.0149; 17.024; 17.8106
90; 90; 90
3036.6Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan
Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones
Journal of Organic Chemistry, 2013, 78, 3183-3195
4028112 CIFC35 H39 N O4 SP 1 21 113.044; 9.9527; 13.2043
90; 114.231; 90
1563.2Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan
Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones
Journal of Organic Chemistry, 2013, 78, 3183-3195
4028113 CIFC37 H45 N O5 S SiP c a 2115.6706; 11.6448; 18.6587
90; 90; 90
3404.86Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan
Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones
Journal of Organic Chemistry, 2013, 78, 3183-3195
4028114 CIFC80 H98 N2 O20P 1 21/c 18.5258; 34.215; 13.071
90; 107.06; 90
3645.2Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen
Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host
Journal of Organic Chemistry, 2013, 78, 3235-3242
4028115 CIFC96 H122 F12 N2 O22 P2P -113.7223; 14.0686; 14.395
102.491; 101.542; 108.119
2469.3Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen
Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host
Journal of Organic Chemistry, 2013, 78, 3235-3242
4028116 CIFC124 H136 F24 N4 O20 P4P -114.418; 15.829; 15.956
88.52; 83.827; 65.386
3290.7Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen
Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host
Journal of Organic Chemistry, 2013, 78, 3235-3242
4028117 CIFC128 H144 F24 N4 O20 P4C 1 2/c 139.83; 15.198; 25.284
90; 108.23; 90
14537Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen
Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host
Journal of Organic Chemistry, 2013, 78, 3235-3242
4028118 CIFC130 H141 F28 N7 O20 P4P -114.804; 17.814; 25.418
76.22; 78.43; 80.62
6331Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen
Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host
Journal of Organic Chemistry, 2013, 78, 3235-3242
4028119 CIFC100 H112 Cl2 F12 N2 O20 P2P -111.819; 15.066; 15.443
104.587; 98.719; 110.301
2407.9Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen
Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host
Journal of Organic Chemistry, 2013, 78, 3235-3242
4028120 CIFC100 H112 Br2 F12 N2 O20 P2P -111.783; 15.157; 15.464
104.62; 99.12; 110.08
2416.9Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen
Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host
Journal of Organic Chemistry, 2013, 78, 3235-3242
4028121 CIFC112 H134 F24 N10 O20 P4P -113.4033; 15.6426; 17.7463
66.405; 87.465; 66.34
3092.9Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen
Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host
Journal of Organic Chemistry, 2013, 78, 3235-3242
4028122 CIFC96 H114 F12 N2 O20 P2P -114.8; 17.228; 19.16
71.4; 80.78; 77.61
4500Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen
Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host
Journal of Organic Chemistry, 2013, 78, 3235-3242
4028123 CIFC18 H18 Br2 N2 O5P 21 21 219.9911; 10.4994; 18.8049
90; 90; 90
1972.6Hyo-Jun Lee; Chang-Woo Cho
Cinchona-Based Primary Amine-Catalyzed Asymmetric Cascade Aza-Michael-Aldol Reactions of Enones with 2-(1H-Pyrrol-2-yl)-2-oxoacetates: Synthesis of Chiral Pyrrolizines with Multistereocenters
Journal of Organic Chemistry, 2013, 78, 3306-3312
4028124 CIFC16 H12 O2P c a 2114.842; 6.615; 24.531
90; 90; 90
2408.4Debkumar Nandi; Debalina Ghosh; Shih-Ji Chen; Bing-Chiuan Kuo; Nancy M. Wang; Hon Man Lee
One-Step Synthesis of Isocoumarins and 3-Benzylidenephthalides via Ligandless Pd-Catalyzed Oxidative Coupling of Benzoic Acids and Vinylarenes
Journal of Organic Chemistry, 2013, 78, 3445-3451
4028125 CIFC18 H16 O5P c c n13.6637; 26.4984; 8.3392
90; 90; 90
3019.3Debkumar Nandi; Debalina Ghosh; Shih-Ji Chen; Bing-Chiuan Kuo; Nancy M. Wang; Hon Man Lee
One-Step Synthesis of Isocoumarins and 3-Benzylidenephthalides via Ligandless Pd-Catalyzed Oxidative Coupling of Benzoic Acids and Vinylarenes
Journal of Organic Chemistry, 2013, 78, 3445-3451
4028126 CIFC20 H18 Cl N O3P 1 21/c 112.269; 12.814; 11.38
90; 98.462; 90
1769.6Xu Liu; Ning Zhang; Jiming Yang; Yongjiu Liang; Rui Zhang; Dewen Dong
Hydrogen Bond-Assisted 6π-Azaelectrocyclization of Penta-2,4-dienamides: Synthesis of Dihydropyridin-2(3H)-ones
Journal of Organic Chemistry, 2013, 78, 3323-3328
4028127 CIFC22 H22 Cl2 S2P c c a22.857; 7.33; 23.337
90; 90; 90
3909.9Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti
Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes
Journal of Organic Chemistry, 2013, 78, 3496-3502
4028128 CIFC11 H11 Cl SP -16.946; 7.72; 9.057
90.861; 89.656; 98.724
479.99Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti
Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes
Journal of Organic Chemistry, 2013, 78, 3496-3502
4028129 CIFC11 H11 Cl SP -15.291; 7.714; 12.239
99.618; 94.426; 102.384
477.73Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti
Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes
Journal of Organic Chemistry, 2013, 78, 3496-3502
4028130 CIFC36 H36 O2 S2P -19.525; 11.52; 13.591
81.463; 87.681; 84.909
1468.4Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti
Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes
Journal of Organic Chemistry, 2013, 78, 3496-3502
4028131 CIFC36 H36 O2 S2P -110.689; 14.404; 19.076
98.344; 90.87; 91.061
2905Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti
Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes
Journal of Organic Chemistry, 2013, 78, 3496-3502

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