Crystallography Open Database

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7156497 CIFC21 H21 N O4 SP -15.2634; 12.909; 14.964
73.896; 89.385; 80.113
961.6Dahiya, Anjali; Ali, Wajid; Alam, Tipu; Patel, Bhisma K.
A cascade synthesis of S-allyl benzoylcarbamothioates via Mumm-type rearrangement.
Organic & biomolecular chemistry, 2018, 16, 7787-7791
7156498 CIFC22 H36 N4 O7I 1 2 120.6903; 5.75339; 23.2601
90; 110.085; 90
2600.48Drouillat, Bruno; Peggion, Cristina; Biondi, Barbara; Wright, Karen; Couty, François; Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio
A novel peptide conformation: the γ-bend ribbon.
Organic & biomolecular chemistry, 2018, 16, 7947-7958
7156499 CIFC81 H45 Br4 N5 ZnI 414.8911; 14.8911; 14.4517
90; 90; 90
3204.6Pijeat, Joffrey; Dappe, Yannick J.; Thuéry, Pierre; Campidelli, Stéphane
Synthesis and Suzuki-Miyaura cross coupling reactions for post-synthetic modification of a tetrabromo-anthracenyl porphyrin.
Organic & biomolecular chemistry, 2018, 16, 8106-8114
7156500 CIFC7 H15 N3 SP 1 21 16.6889; 20.404; 6.7943
90; 102.245; 90
906.19Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.
A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.
Organic & biomolecular chemistry, 2018, 16, 8072-8089
7156501 CIFC10 H19 N3 SC 1 2/c 122.7327; 9.7061; 10.6589
90; 105.34; 90
2268.05Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.
A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.
Organic & biomolecular chemistry, 2018, 16, 8072-8089
7156502 CIFC11 H19 N3 SP 1 21/c 18.6412; 10.61; 12.608
90; 106.492; 90
1108.4Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.
A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.
Organic & biomolecular chemistry, 2018, 16, 8072-8089
7156503 CIFC9 H17 N3 SP 1 21/c 15.6776; 8.9813; 20.467
90; 91.743; 90
1043.18Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.
A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.
Organic & biomolecular chemistry, 2018, 16, 8072-8089
7156504 CIFC7 H15 N3 OP b c a7.2701; 12.9061; 18.374
90; 90; 90
1724Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.
A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.
Organic & biomolecular chemistry, 2018, 16, 8072-8089
7156505 CIFC18 H15 F3 N2 O3P b c a17.298; 5.9353; 33.483
90; 90; 90
3437.7Sun, Shaofa; Chen, Rongxing; Wang, Gangqiang; Wang, Jian
Sodium carbonate promoted [3 + 2] annulation of α-halohydroxamates and isocyanates.
Organic & biomolecular chemistry, 2018, 16, 8011-8014
7156506 CIFC6 H6 N8 O2P b c n8.0308; 7.8229; 12.8172
90; 90; 90
805.23Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming
Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.
Organic & biomolecular chemistry, 2018, 16, 8034-8037
7156507 CIFC6 H2 N8 O2P 1 21/n 15.7793; 11.6585; 5.7805
90; 100.28; 90
383.23Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming
Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.
Organic & biomolecular chemistry, 2018, 16, 8034-8037
7156508 CIFC4 H3.33 N4 O3.67P 1 21/c 119.2788; 5.4732; 19.4681
90; 111.922; 90
1905.7Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming
Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.
Organic & biomolecular chemistry, 2018, 16, 8034-8037
7156509 CIFC18 H16 N2 OP 1 21/n 114.2864; 5.3688; 19.4632
90; 108.952; 90
1411.9Liu, Kun; Shang, Xinye; Cheng, Yuyu; Chang, Xiaoyong; Li, Pengfei; Li, Wenjun
Regioselective [3 + 2]-annulation of hydrazonyl chlorides with 1,3-dicarbonyl compounds for assembling of polysubstituted pyrazoles.
Organic & biomolecular chemistry, 2018, 16, 7811-7814
7156510 CIFC28 H30 F6 N4 O4 SP 21 21 2110.0847; 12.3157; 23.0056
90; 90; 90
2857.3Claveau, Romain; Twamley, Brendan; Connon, Stephen J.
Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.
Organic & biomolecular chemistry, 2018, 16, 7574-7578
7156511 CIFC19 H17 N O6P 619.3038; 9.3038; 33.9408
90; 90; 120
2544.33Claveau, Romain; Twamley, Brendan; Connon, Stephen J.
Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.
Organic & biomolecular chemistry, 2018, 16, 7574-7578
7156512 CIFC29 H20 Br N O4 SP -19.8247; 11.526; 11.6543
86.407; 74.525; 72.819
1214.94Tang, Xue; Zhu, Hong-Ping; Zhou, Jin; Chen, Yang; Pan, Xiao-Li; Guo, Li; Li, Jun-Long; Peng, Cheng; Huang, Wei
Highly diastereoselective synthesis of cyclopropane-fused spiro-pseudoindoxyl derivatives through [2 + 1] annulation of 2-ylideneoxindoles and sulfonium bromides.
Organic & biomolecular chemistry, 2018, 16, 8169-8174
7156513 CIFC29 H17 F6 N O2P 1 21 19.2784; 14.1722; 9.8379
90; 114.077; 90
1181.09Belyaeva, K. V.; Nikitina, L. P.; Afonin, A. V.; Vashchenko, A. V.; Muzalevskiy, V. M.; Nenajdenko, V. G.; Trofimov, B. A.
Catalyst-free 1 : 2 annulation of quinolines with trifluoroacetylacetylenes: an access to functionalized oxazinoquinolines.
Organic & biomolecular chemistry, 2018, 16, 8038-8041
7156514 CIFC20 H13 NP 1 21/c 111.6754; 11.052; 11.6067
90; 108.497; 90
1420.32Mylavarapu, Saketh; Yadav, Mamta; Bhanuchandra, M.
KHMDS mediated synthesis of 9-arylfluorenes from dibenzothiophene dioxides and arylacetonitriles by tandem S<sub>N</sub>Ar-decyanation-based arylation.
Organic & biomolecular chemistry, 2018, 16, 7815-7819
7156515 CIFC22 H16 O3 SP b c a9.1358; 18.8753; 20.9542
90; 90; 90
3613.4Zhou, Bang; Chen, Wenqi; Yang, Yuzhong; Yang, Yuan; Deng, Guobo; Liang, Yun
A radical cyclization cascade of 2-alkynylbenzonitriles with sodium arylsulfinates.
Organic & biomolecular chemistry, 2018, 16, 7959-7963
7156516 CIFC20 H18 O3P 1 21/c 113.4246; 7.175; 17.1559
90; 97.007; 90
1640.1Wang, Qiumei; Yang, Chao; Jiang, Chao
Visible-light-promoted radical acylation/cyclization of alkynoates with aldehydes for the synthesis of 3-acylcoumarins.
Organic & biomolecular chemistry, 2018, 16, 8196-8204
7156517 CIFC50 H36 N8P -111.942; 12.7737; 12.9601
91.778; 102.372; 102.443
1879.5Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.
Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.
Organic & biomolecular chemistry, 2018, 16, 7806-7810
7156518 CIFC25 H17 Br N4P 21 21 217.7966; 14.3031; 18.1018
90; 90; 90
2018.6Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.
Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.
Organic & biomolecular chemistry, 2018, 16, 7806-7810
7156519 CIFC35 H48 O7P 21 21 2111.2746; 16.1738; 18.2342
90; 90; 90
3325.06Hou, Ji-Qin; Wang, Bao-Lin; Han, Chao; Xu, Jian; Wang, Zhe; He, Qi-Wei; Zhang, Pei-Lin; Zhao, Shu-Min; Pei, Xin; Wang, Hao
Atropisomeric meroterpenoids with rare triketone-phloroglucinol-terpene hybrids from Baeckea frutescens.
Organic & biomolecular chemistry, 2018, 16, 8513-8524
7156520 CIFC27 H33 Cl N3 O RhP -110.7346; 11.0951; 13.403
98.488; 113.22; 108.845
1317.2Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi
Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.
Organic & biomolecular chemistry, 2018, 16, 8191-8195
7156521 CIFC26 H27 N3 O8P 1 21/n 113.7264; 8.0434; 22.4695
90; 97.451; 90
2459.8Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi
Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.
Organic & biomolecular chemistry, 2018, 16, 8191-8195
7156522 CIFC39 H45 N3 O6P -19.6158; 14.3878; 15.7308
63.487; 72.881; 74.459
1837.3Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi
Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.
Organic & biomolecular chemistry, 2018, 16, 8191-8195
7156523 CIFC16 H19 F3 I N OP 21 21 2111.6524; 15.998; 18.6279
90; 90; 90
3472.5Shi, Yingkun; Xiao, Hongqing; Xu, Xiu-Hua; Huang, Yangen
Transition metal free decarboxylative fluoroalkylation of N-acrylamides with 3,3,3-trifluoro-2,2-dimethylpropanoic acid (TFDMPA).
Organic & biomolecular chemistry, 2018, 16, 8472-8476
7156530 CIFC24 H17 Cl N2 O3P -18.5002; 9.3931; 13.1098
83.094; 80.207; 80.262
1012.1Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Karishma, Pidiyara; Markad, Datta; Mandal, Sanjay K.; Sakhuja, Rajeev
Iridium-catalyzed [4 + 2] annulation of 1-arylindazolones with α-diazo carbonyl compounds: access to indazolone-fused cinnolines.
Organic & biomolecular chemistry, 2018, 16, 8585-8595
7156531 CIFC19 H28 O3P -110.4021; 11.1622; 18.137
73.826; 89.528; 62.611
1778Kawamoto, Yuichiro; Ozone, Daiki; Kobayashi, Toyoharu; Ito, Hisanaka
Total synthesis of (±)-chondrosterin I using a desymmetric aldol reaction.
Organic & biomolecular chemistry, 2018, 16, 8477-8480
7156532 CIFC13 H9 N3 OP 1 2/c 113.042; 5.681; 14.602
90; 98.86; 90
1068.98Chen, Zhengwang; Liang, Pei; Liu, Botao; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Ye, Min
A facile tandem decyanation/cyanation reaction of α-iminonitriles toward cyano-substituted amides.
Organic & biomolecular chemistry, 2018, 16, 8481-8485
7156533 CIFC36 H35 N O SiC 1 2/c 120.052; 6.3001; 48.442
90; 96.918; 90
6075Xu, Murong; Zheng, Zhong; Wang, Mengdan; Kong, Lingkai; Ao, Yujuan; Li, Yanzhong
Cobalt-catalyzed regioselective syntheses of indeno[2,1-c]pyridines from nitriles and diynes bearing propargyl fragments.
Organic & biomolecular chemistry, 2018, 16, 8761-8768
7156534 CIFC16 H23 N O2P 21 21 219.8834; 10.2262; 13.9008
90; 90; 90
1404.95Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong
A rapid construction of the ABC tricyclic skeleton of malabanone A.
Organic & biomolecular chemistry, 2018, 16, 8491-8494
7156535 CIFC16 H23 N O2P 21 21 217.3868; 17.0662; 23.1039
90; 90; 90
2912.6Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong
A rapid construction of the ABC tricyclic skeleton of malabanone A.
Organic & biomolecular chemistry, 2018, 16, 8491-8494
7156536 CIFC21 H27 N O4P 1 21 17.3514; 7.7395; 16.0309
90; 94.117; 90
909.74Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong
A rapid construction of the ABC tricyclic skeleton of malabanone A.
Organic & biomolecular chemistry, 2018, 16, 8491-8494
7156537 CIFC53 H45 Cl6 N5 O2 P2 PdP -112.2631; 13.767; 19.0767
71.606; 87.408; 63.944
2728.97Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman
Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.
Organic & biomolecular chemistry, 2018, 16, 8629-8638
7156538 CIFC17 H15 N5 OP 1 21/c 18.7446; 11.529; 15.2091
90; 105.14; 90
1480.11Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman
Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.
Organic & biomolecular chemistry, 2018, 16, 8629-8638
7156539 CIFC26 H20 N10 PdP 1 21/n 114.0025; 13.5967; 15.1462
90; 116.114; 90
2589.3Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman
Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.
Organic & biomolecular chemistry, 2018, 16, 8629-8638
7156540 CIFC15 H10 F N5 OP -16.7614; 8.5686; 11.9894
77.8244; 77.638; 85.281
662.75Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman
Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.
Organic & biomolecular chemistry, 2018, 16, 8629-8638
7156542 CIFC20 H18 N2 O2P -17.8748; 14.7543; 15.7507
68.6045; 85.8107; 77.4717
1663.3Li, Pinhua; Wang, Guan-Wu; Chen, Hao; Wang, Lei
Nickel-catalyzed regioselective arylation of aromatic amides with aryl iodides enabled by an N,O-bidentate directing group.
Organic & biomolecular chemistry, 2018, 16, 8783-8790
7156543 CIFC21 H32 O5P 21 21 218.8265; 21.615; 30.7813
90; 90; 90
5872.6Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui
Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.
Organic & biomolecular chemistry, 2018, 16, 8751-8760
7156544 CIFC21 H32 O5P 1 21 16.3056; 17.1631; 17.9081
90; 92.519; 90
1936.21Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui
Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.
Organic & biomolecular chemistry, 2018, 16, 8751-8760
7156545 CIFC22 H36 O4P 1 21 16.856; 15.7693; 9.6944
90; 101.609; 90
1026.66Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui
Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.
Organic & biomolecular chemistry, 2018, 16, 8751-8760
7156546 CIFC19 H28 O2P 21 21 219.0892; 9.9719; 17.8361
90; 90; 90
1616.6Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui
Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.
Organic & biomolecular chemistry, 2018, 16, 8751-8760
7156547 CIFC25 H23 Br N2P 1 21/c 113.2298; 10.1625; 15.5329
90; 98.015; 90
2067.96Panwar, Rahul; Shally, ?; Shaw, Ranjay; Elagamy, Amr; Pratap, Ramendra
Chemoselective synthesis of m-teraryls through ring transformation of 2H-pyran-2-ones by 2-(1-arylethylidene)-malononitriles.
Organic & biomolecular chemistry, 2018, 16, 8994-9002
7156548 CIFC46 H37 F2 N4 O4 S2P 21 21 218.434; 10.662; 44.27
90; 90; 90
3981Li, Weihua; Wang, Yifeng; Xu, Danqian
Asymmetric synthesis of β-amino ketones by using cinchona alkaloid-based chiral phase transfer catalysts.
Organic & biomolecular chemistry, 2018, 16, 8704-8709
7156549 CIFC53 H41 Cl3 N4C 1 2/c 125.4646; 16.7733; 10.4497
90; 100.998; 90
4381.4Gao, Qinghe; Wang, Yakun; Wang, Qianqian; Zhu, Yanping; Liu, Zhaomin; Zhang, Jixia
I<sub>2</sub>-Triggered N-O cleavage of ketoxime acetates for the synthesis of 3-(4-pyridyl)indoles.
Organic & biomolecular chemistry, 2018, 16, 9030-9037
7156550 CIFC25 H25 N O6P b c a10.932; 15.037; 28.078
90; 90; 90
4616Wang, Qiang; Zhang, Tao; Fan, Yunchang; Fan, Xuesen
Synthesis of functionalized cyclopentenes through allenic ketone-based multicomponent reactions.
Organic & biomolecular chemistry, 2018, 16, 8854-8858
7156551 CIFC19 H18 N2 O3P -16.8817; 9.377; 13.0597
84.642; 75.196; 78.648
798Xiao, Yan; Xiong, Hao; Sun, Song; Yu, Jintao; Cheng, Jiang
Rh(iii)-Catalyzed dual C-H functionalization of 3-(1H-indol-3-yl)-3-oxopropanenitriles with sulfoxonium ylides or diazo compounds toward polysubstituted carbazoles.
Organic & biomolecular chemistry, 2018, 16, 8715-8718
7156553 CIFC29 H21 N2 O SP 1 21/n 110.4442; 14.3318; 16.2731
90; 96.095; 90
2422.06Sharma, Nitika; Peddinti, Rama Krishna
Experimental and theoretical investigations of regioselective functionalization of 3-hydroxy bisindoles with thiols.
Organic & biomolecular chemistry, 2018, 16, 9259-9268
7156554 CIFC23 H20 Cl F N2 O3 SP 21 21 219.5099; 9.7883; 23.6429
90; 90; 90
2200.82Zheng, Bu-Quan; Chen, Ling-Yan; Zhao, Jian-Bo; Ji, Jian; Qiu, Zi-Bin; Ren, Xinfeng; Li, Ya
Organocatalytic asymmetric syntheses of 3-fluorooxindoles containing vicinal fluoroamine motifs.
Organic & biomolecular chemistry, 2018, 16, 8989-8993

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