Crystallography Open Database

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7157887 CIFC26 H23 F O4C 1 2/c 127.5645; 7.0521; 22.8442
90; 114.574; 90
4038.4Chang, Meng-Yang; Tsai, Min-Chen
Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.
Organic & biomolecular chemistry, 2021, 19, 2254-2268
7157888 CIFC21 H27 N O5P -19.6698; 13.6733; 15.2154
107.614; 91.299; 93.979
1910.8Marquès, Clàudia; Diaba, Faïza; Roca, Jaume; Bonjoch, Josep
Synthesis and reactivity of hydroindole enelactams leading to densely functionalized scaffolds.
Organic & biomolecular chemistry, 2021, 19, 2284-2301
7157889 CIFC21 H25 N O5P 1 21/c 18.443; 7.818; 29.113
90; 96.255; 90
1910.2Marquès, Clàudia; Diaba, Faïza; Roca, Jaume; Bonjoch, Josep
Synthesis and reactivity of hydroindole enelactams leading to densely functionalized scaffolds.
Organic & biomolecular chemistry, 2021, 19, 2284-2301
7157890 CIFC19 H12 O6 SP -17.6249; 9.1227; 12.8047
85.841; 88.2; 81.018
877.27Zhou, Wei; Tian, You-Ping; Zhou, Hao-Jie; Wang, Hui-Juan; Ren, Yan; Liu, Xiong-Li
Synthesis of methanesulfone-containing tetrasubstituted carbon stereocenters.
Organic & biomolecular chemistry, 2021, 19, 2269-2276
7157891 CIFC17 H16 F6 N2 O S2P 1 21/c 19.5039; 8.281; 24.124
90; 96.831; 90
1885.1Ellaby, Rebecca J.; Clark, Ewan R.; Allen, Nyasha; Taylor, Faith R.; Ng, Kendrick K. L.; Dimitrovski, Milan; Chu, Dominique F.; Mulvihill, Daniel P.; Hiscock, Jennifer R.
Identification of organophosphorus simulants for the development of next-generation detection technologies.
Organic & biomolecular chemistry, 2021, 19, 2008-2014
7157892 CIFC30 H30 N2P 1 21/c 131.342; 5.8152; 29.181
90; 115.2; 90
4812Liu, Anan; Ma, Dongge; Qian, Yuhang; Li, Jundan; Zhai, Shan; Wang, Yi; Chen, Chuncheng
A powerful azomethine ylide route mediated by TiO<sub>2</sub> photocatalysis for the preparation of polysubstituted imidazolidines.
Organic & biomolecular chemistry, 2021, 19, 2192-2197
7157893 CIFC13 H19 N O3 SP 1 21/c 114.183; 7.331; 14.82
90; 111.951; 90
1429Vankar, Jigarkumar K.; Gupta, Ankush; Jadav, Jaydeepbhai P.; Nanjegowda, Shankara H.; Gururaja, Guddeangadi N.
The thioamidation of gem-dibromoalkenes in an aqueous medium.
Organic & biomolecular chemistry, 2021, 19, 2473-2480
7157894 CIFC28 H26 Cl N O2P 1 21 18.6212; 11.7654; 12.0329
90; 100.743; 90
1199.1Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin
Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.
Organic & biomolecular chemistry, 2021, 19, 1955-1959
7157895 CIFC29 H29 N O3P 1 21 111.768; 8.713; 12.22
90; 96.67; 90
1244.5Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin
Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.
Organic & biomolecular chemistry, 2021, 19, 1955-1959
7157896 CIFC37 H32 Br Cl2 N3 O2P 1 21/c 114.0371; 18.7861; 13.4704
90; 113.45; 90
3258.79Li, Chunmei; Yang, Xiaopeng; Zhang, Furen; Qi, Chenze; Shen, Zhenlu
Simple and efficient one-pot multi-step strategy for the synthesis of 2-substituted (1,2,5-triarylpyrrolo[3,2-c]pyridin-3-yl)-N-arylacetamide derivatives in water.
Organic & biomolecular chemistry, 2021, 19, 2526-2532
7157897 CIFC27 H24 Cl N3 O2 SP 1 21/n 115.0149; 6.9413; 28.0824
90; 102.467; 90
2857.8Jin, Shengnan; Chen, Fan; Qian, Pengcheng; Cheng, Jiang
Cyanoalkylation/alkynylation of allylic alcohol through intramolecular radical 1,2-alkynyl migration.
Organic & biomolecular chemistry, 2021, 19, 2416-2419
7157898 CIFC28 H26 N2 O2 SP 1 21/n 110.0012; 22.074; 10.7284
90; 90.349; 90
2368.4Chen, Zhuo; Nie, Xiao-Di; Sun, Jian-Ting; Yang, Ai-Mei; Wei, Bang-Guo
Zn(OTf)<sub>2</sub>-catalyzed hydroamination of ynamides with aromatic amines.
Organic & biomolecular chemistry, 2021, 19, 2492-2501
7157899 CIFC17 H20 N3 O4 PP 1 21/n 111.592; 7.715; 19.848
90; 105.237; 90
1712.7Teixeira, Fátima C; Lucas, Carla; Curto, M João M; André, Vânia; Duarte, M. Teresa; Teixeira, António P S
Synthesis of novel pyrazolo[3,4-b]quinolinebisphosphonic acids and an unexpected intramolecular cyclization and phosphonylation reaction.
Organic & biomolecular chemistry, 2021, 19, 2533-2545
7157900 CIFC17 H20 N3 O4 PP 1 21/n 17.8318; 10.2797; 21.689
90; 98.47; 90
1727.1Teixeira, Fátima C; Lucas, Carla; Curto, M João M; André, Vânia; Duarte, M. Teresa; Teixeira, António P S
Synthesis of novel pyrazolo[3,4-b]quinolinebisphosphonic acids and an unexpected intramolecular cyclization and phosphonylation reaction.
Organic & biomolecular chemistry, 2021, 19, 2533-2545
7157901 CIFC13 H14 F N O5P 21 21 217.40072; 9.1371; 18.7024
90; 90; 90
1264.68Sperga, Arturs; Kazia, Armands; Veliks, Janis
Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.
Organic & biomolecular chemistry, 2021, 19, 2688-2691
7157902 CIFC12 H11 F N2 O6P 1 21/c 16.781; 22.97; 8.2131
90; 91.101; 90
1279Sperga, Arturs; Kazia, Armands; Veliks, Janis
Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.
Organic & biomolecular chemistry, 2021, 19, 2688-2691
7157903 CIFC9 H7 I O3P 1 21/n 112.4119; 4.1382; 18.5166
90; 94.868; 90
947.64Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika
N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.
Organic & biomolecular chemistry, 2021, 19, 2442-2447
7157904 CIFC23 H18 I N O4P 1 21/c 18.9812; 10.2319; 22.2899
90; 96.794; 90
2033.94Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika
N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.
Organic & biomolecular chemistry, 2021, 19, 2442-2447
7157905 CIFC23 H16P -18.7105; 9.787; 10.2324
107.954; 100.92; 104.829
767.28Sahu, Archana K.; Unnava, Ramanjaneyulu; Behera, Bipin K.; Saikia, Anil K.
Synthesis of dibenzocyclohepta[1,2-a]naphthalene derivatives from phenylacetaldehyde and alkynyl benzyl alcohols via sequential electrophilic addition and double Friedel-Crafts reactions.
Organic & biomolecular chemistry, 2021, 19, 2430-2435
7157906 CIFC24 H18P 1 21/n 19.8016; 12.5556; 14.0526
90; 108.162; 90
1643.22Sahu, Archana K.; Unnava, Ramanjaneyulu; Behera, Bipin K.; Saikia, Anil K.
Synthesis of dibenzocyclohepta[1,2-a]naphthalene derivatives from phenylacetaldehyde and alkynyl benzyl alcohols via sequential electrophilic addition and double Friedel-Crafts reactions.
Organic & biomolecular chemistry, 2021, 19, 2430-2435
7157907 CIFC18 H15 Br N2 O SP 1 21/c 110.6922; 8.9341; 17.5905
90; 98.505; 90
1661.9Gu, Qingyun; Wang, Qiyang; Dai, Wenjing; Wang, Xin; Ban, Yingguo; Liu, Tianqing; Zhao, Yu; Zhang, Yanan; Ling, Yong; Zeng, Xiaobao
K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-mediated regio- and stereo-selective thiocyanation of enamides with NH<sub>4</sub>SCN.
Organic & biomolecular chemistry, 2021, 19, 2512-2516
7157908 CIFC20 H18 Cl2 N4 O4P 1 21/n 110.721; 14.6163; 12.7288
90; 97.406; 90
1978Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz
Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.
Organic & biomolecular chemistry, 2021, 19, 2716-2724
7157909 CIFC25 H22 Cl F3 N4 O4P 1 21/c 116.9129; 16.433; 8.5648
90; 104.382; 90
2305.81Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz
Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.
Organic & biomolecular chemistry, 2021, 19, 2716-2724
7157910 CIFC22 H19 Br N4 O4P b c n23.3635; 9.5879; 17.6817
90; 90; 90
3960.82Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz
Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.
Organic & biomolecular chemistry, 2021, 19, 2716-2724
7157911 CIFC7 H6 N2 OP 1 21/c 13.7961; 7.4931; 22.9246
90; 99.5201; 90
643.1Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157912 CIFC12 H22 Cl N3 O2P 1 21/n 18.9692; 18.2082; 9.2058
90; 106.444; 90
1441.93Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157913 CIFC18 H31 Cl N6 O6I 1 2/a 120.1831; 7.18245; 30.464
90; 102.664; 90
4308.76Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157914 CIFC14 H23 Cl N6 O4P -18.5903; 14.7776; 15.1797
87.837; 73.679; 82.1
1831.77Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157915 CIFC13 H25 N3 O8 S2P -19.3183; 9.8382; 11.2711
78.16; 78.258; 73.277
956.95Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157916 CIFC7 H11 Cl2 N3 OP 1 21/c 14.4199; 11.7058; 20.2357
90; 93.014; 90
1045.52Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157917 CIFC9 H16 Cl N3 O3P -16.7656; 9.4132; 10.2539
108.309; 96.718; 102.189
594.05Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157918 CIFC10 H15 N3 O2P 21 21 216.577; 10.7154; 15.0191
90; 90; 90
1058.47Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157919 CIFC7 H13 N3 O3P 1 21 110.14; 4.0229; 10.8744
90; 98.89; 90
438.26Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157920 CIFC14 H23 Cl N6 O4P 1 21/c 14.3443; 14.5191; 15.9472
90; 113.446; 90
922.83Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157921 CIFC9 H19.669 N3 O5.735P 1 21/c 114.7267; 36.335; 7.3619
90; 90.269; 90
3939.3Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Organic & biomolecular chemistry, 2021, 19, 2784-2793
7157922 CIFC24 H19 Cl OP -17.972; 9.389; 13.279
85.406; 84.165; 67.62
913.4Li, Ya-Qiong; Xu, Guo-Dong; Huang, Zhi-Zhen
An organophosphorus-mediated cross-Rauhut-Currier/Wittig domino reaction for the efficient synthesis of trisubstituted cyclopentenes.
Organic & biomolecular chemistry, 2021, 19, 2487-2491
7157923 CIFC16 H17 N O4P 21 21 215.2488; 7.5956; 33.4224
90; 90; 90
1332.48Liang, Leilei; Li, Ji; Shen, Baochun; Zhang, Yili; Liu, Jianping; Chen, Jingbo; Liu, Dandan
The effect of carbonyl on the isomerization of a galanthan ring system and total synthesis of (±)-β-lycorane.
Organic & biomolecular chemistry, 2021, 19, 2767-2772
7157924 CIFC16 H14 N2 OP 1 21/c 111.4303; 23.178; 10.3616
90; 91.78; 90
2743.8Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei
Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.
Organic & biomolecular chemistry, 2021, 19, 3191-3198
7157925 CIFC18 H21 N O4P n m a15.2387; 10.3818; 9.6545
90; 90; 90
1527.39Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei
Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.
Organic & biomolecular chemistry, 2021, 19, 3191-3198
7157926 CIFC17 H17 N O6P -17.18; 8.862; 12.266
84.056; 84.296; 84.884
770Meng, Ling; Chang, Xiaoyong; Lin, Zhenyang; Wang, Jun Joelle
Metal-free access to 3-allyl-2-alkoxychromanones via phosphine-catalyzed alkoxy allylation of chromones with MBH carbonates and alcohols.
Organic & biomolecular chemistry, 2021, 19, 2663-2667
7157927 CIFC15 H16 OP n m a10.3731; 6.7217; 16.666
90; 90; 90
1162.03Williams, Georgia E.; Kociok-Köhn, Gabriele; James, Tony D.; Lewis, Simon E.
C4-aldehyde of guaiazulene: synthesis and derivatisation.
Organic & biomolecular chemistry, 2021, 19, 2502-2511
7157928 CIFC27 H21 Br Cl N3 O3P -18.8254; 9.1172; 16.392
94.438; 90.27; 111.705
1221Teimouri, Mohammad Bagher; Mokhtare, Zahra; Khavasi, Hamid Reza
Uncatalyzed diastereoselective synthesis of alkyliminofurochromone-derived benzylmalononitriles via a three-component cascade reaction: competition between Diels-Alder cycloaddition and Michael addition.
Organic & biomolecular chemistry, 2021, 19, 2517-2525
7157929 CIFC23 H27 Br N4 OP -111.5777; 12.8278; 15.3442
77.929; 76.867; 88.501
2169.6Wen, Li-Rong; Wang, Ning-Ning; Du, Wu-Bo; Ma, Qiang; Zhang, Lin-Bao; Li, Ming
Nickel-promoted oxidative domino C<sub>sp3</sub>-H/N-H bond double-isocyanide insertion reaction to construct pyrrolin-2-ones.
Organic & biomolecular chemistry, 2021, 19, 2895-2900
7157930 CIFC18 H19 N9 O2P 1 21 16.7974; 13.92; 9.9497
90; 91.655; 90
941Kösel, Teresa; Dräger, Gerald; Kirschning, Andreas
Oxidative azidations of phenols and ketones using iodine azide after release from an ion exchange resin.
Organic & biomolecular chemistry, 2021, 19, 2907-2911
7157931 CIFC15 H9 B Cl2 N2 OP 21 21 219.266; 11.4559; 12.8747
90; 90; 90
1366.65Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.
Controlling selectivity in N-heterocycle directed borylation of indoles.
Organic & biomolecular chemistry, 2021, 19, 2949-2958
7157932 CIFC13 H9 B Cl2 N2P 1 21/c 17.2198; 8.3969; 19.8689
90; 97.203; 90
1195.02Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.
Controlling selectivity in N-heterocycle directed borylation of indoles.
Organic & biomolecular chemistry, 2021, 19, 2949-2958
7157933 CIFC23 H21 N O3 S SeP 1 21/c 111.5825; 11.7312; 16.2936
90; 110.128; 90
2078.7Bian, Mixue; Hua, Jiawei; Ma, Tao; Xu, Jia; Cai, Chen; Yang, Zhao; Liu, Chengkou; He, Wei; Fang, Zheng; Guo, Kai
Continuous-flow electrosynthesis of selenium-substituted iminoisobenzofuran via oxidative cyclization of olefinic amides and diselenides.
Organic & biomolecular chemistry, 2021, 19, 3207-3212
7157934 CIFC40 H43 Cl N5 O6P -112.135; 13.466; 13.797
105.34; 97.89; 112.09
1942.6Nazeri, Mohammad Taghi; Shaabani, Ahmad; Notash, Behrouz
Chemoselective synthesis of fully substituted pyrroles <i>via</i> a one-pot four-component isocyanide-based reaction.
Organic & biomolecular chemistry, 2021, 19, 3722-3734
7157935 CIFC6 H8 I N OP 1 21/c 18.1689; 30.7155; 16.3945
90; 103.292; 90
4003.38Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.
Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.
Organic & biomolecular chemistry, 2021, 19, 2794-2803
7157936 CIFC30 H28 B N OC 1 2/m 116.154; 10.07; 14.0816
90; 91.992; 90
2289.3Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.
Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.
Organic & biomolecular chemistry, 2021, 19, 2794-2803

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