Crystallography Open Database

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7158469 CIFC48 H98.6 Cl8 N12 O11.3P -113.082; 13.444; 20.564
105.35; 108.36; 93.77
3265.9Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz
Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.
Organic & biomolecular chemistry, 2022, 20, 1080-1094
7158470 CIFC51 H90 Cl8 N12 O4P -112.815; 14.444; 16.933
92.83; 101.95; 90.36
3062.2Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz
Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.
Organic & biomolecular chemistry, 2022, 20, 1080-1094
7158471 CIFC14 H15 N O3 SP 1 21/n 110.3951; 8.7516; 14.2044
90; 95.671; 90
1285.9Chen, Lu; Wang, Zhichao; Wang, Yangyang; Hao, Liqiang; Xu, Xiaobo; Wu, Gaorong; Ji, Yafei
Rhodium(III)-catalyzed cascade C-H functionalization/annulation of sulfoximines with iodonium ylides for the synthesis of cyclohexanone-1,2-benzothiazines.
Organic & biomolecular chemistry, 2022, 20, 887-894
7158472 CIFC51 H78 N2 O11P 21 21 2110.28331; 15.03; 33.3759
90; 90; 90
5158.52Li, Bo; Wu, Jun; Tang, Lei; Lian, Xu; Li, Zhongwen; Duan, Wenfang; Qin, Tong; Zhao, Xintong; Hu, Yuhua; Zhang, Chi; Li, Tianlei; Hao, Jie; Zhang, Wenxuan; Zhang, Jihong; Wu, Song
Synthesis and anti-tumor activity evaluation of salinomycin C20-<i>O</i>-alkyl/benzyl oxime derivatives.
Organic & biomolecular chemistry, 2022, 20, 870-876
7158473 CIFC20 H21 N O4 SeP -19.198; 10.355; 12.174
69.365; 76.44; 64.56
975.2Haider, Victoria; Zebrowski, Paul; Michalke, Jessica; Monkowius, Uwe; Waser, Mario
Enantioselective organocatalytic syntheses of α-selenated α- and β-amino acid derivatives.
Organic & biomolecular chemistry, 2022, 20, 824-830
7158475 CIFC29 H23 N O3P 1 21/n 111.493; 14.034; 14.667
90; 102.249; 90
2311.8Gummidi, Lalitha; Muddassar, Altaf; Sharma, Gangavaram V. M.; Murugesh, V.; Suresh, Surisetti
Tandem aza-Michael addition-vinylogous aldol condensation: synthesis of <i>N</i>-bridged pyridine fused quinolones.
Organic & biomolecular chemistry, 2022, 20, 773-777
7158476 CIFC25 H20 N2P 1 21/n 19.8016; 10.2699; 18.6233
90; 101.881; 90
1834.49Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping
Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.
Organic & biomolecular chemistry, 2022, 20, 847-851
7158477 CIFC29 H22 N2 SP -17.5089; 15.5665; 18.8172
86.384; 78.938; 86.402
2151.44Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping
Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.
Organic & biomolecular chemistry, 2022, 20, 847-851
7158478 CIFC24 H18 N2P 1 21/n 17.0437; 9.699; 25.3194
90; 93.25; 90
1726.96Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping
Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.
Organic & biomolecular chemistry, 2022, 20, 847-851
7158479 CIFC20 H14 N2 O2 PdP 21 21 215.3533; 16.8012; 17.7277
90; 90; 90
1594.46Mahato, Shreya; Rawal, Parveen; Devadkar, Ajitrao Kisan; Joshi, Mayank; Roy Choudhury, Angshuman; Biswas, Bhaskar; Gupta, Puneet; Panda, Tarun K.
Hydroboration and reductive amination of ketones and aldehydes with HBpin by a bench stable Pd(II)-catalyst.
Organic & biomolecular chemistry, 2022, 20, 1103-1111
7158480 CIFC22 H36 O4 SP 21 21 219.8554; 15.7898; 26.9608
90; 90; 90
4195.5Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva
On the mechanism of the dyotropic expansion of hydrindanes into decalins.
Organic & biomolecular chemistry, 2022, 20, 1073-1079
7158481 CIFC28 H42 O4 S SiP 1 21 17.2736; 19.217; 19.825
90; 91.946; 90
2769.5Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva
On the mechanism of the dyotropic expansion of hydrindanes into decalins.
Organic & biomolecular chemistry, 2022, 20, 1073-1079
7158482 CIFC25 H42 O4 S SiP 19.9546; 11.138; 24.037
93.903; 95.575; 90.203
2646.2Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva
On the mechanism of the dyotropic expansion of hydrindanes into decalins.
Organic & biomolecular chemistry, 2022, 20, 1073-1079
7158483 CIFC21 H18 N2 O3P -18.1439; 9.6588; 11.584
92.542; 98.729; 97.055
891.98Xu, Lichun; Ma, Zhongxiao; Hu, Xi; Zhang, Xin; Gao, Shulin; Liang, Deqiang; Wang, Baoling; Li, Weili; Li, Yanni
Electroreductive synthesis of polyfunctionalized pyridin-2-ones from acetoacetanilides and carbon disulfide with oxygen evolution.
Organic & biomolecular chemistry, 2022, 20, 1013-1018
7158484 CIFC28 H25 N3 OP -16.55; 12.76; 13.5
97.07; 97.8; 98.64
1093Dhara, Samiran; Ghosh, Subhadeep; Das, Asish R.
An iron-catalyzed domino reaction of donor-acceptor cyclopropanes: a diastereoselective approach towards diversely functionalized pyrrolo-quinazolines.
Organic & biomolecular chemistry, 2022, 20, 1415-1424
7158485 CIFC52 H52 Cl8 N4 O2 Zn2P 1 21/n 110.3073; 18.584; 14.516
90; 105.319; 90
2681.8Wang, Qin; Zhang, Kun; Lin, Rui-Lian; Sun, Wen-Qi; Ye, Ming-Fu; Xiao, Xin; Liu, Jing-Xin
A light-responsive molecular switch based on cucurbit[7]uril and 1,1'-bis(benzyl)-4-[2-(4-pyridyl)-vinyl]-pyridinium dibromide displaying white light emission.
Organic & biomolecular chemistry, 2022, 20, 1253-1259
7158486 CIFC9 H11 Cl N4 SP 1 21/n 15.0066; 12.2115; 18.0086
90; 91.708; 90
1100.52Li, Xinjie; Qi, Peng; Du, Hongguang
Cross dehydrogenation coupling reaction of purine derivatives with thioethers.
Organic & biomolecular chemistry, 2022, 20, 1058-1066
7158487 CIFC25 H34 O5C 1 2 122.3405; 9.0682; 13.9052
90; 127.433; 90
2236.9Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui
Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.
Organic & biomolecular chemistry, 2022, 20, 1284-1291
7158488 CIFC27 H40 O6P 21 21 219.3578; 11.4643; 23.4068
90; 90; 90
2511.1Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui
Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.
Organic & biomolecular chemistry, 2022, 20, 1284-1291
7158489 CIFC20 H13 Br N2 OP -18.0295; 8.2401; 13.3944
99.581; 107.21; 100.42
809.44Rajput, Shruti; Kaur, Ramandeep; Jain, Nidhi
Pd and photoredox dual catalysis assisted decarboxylative <i>ortho</i>-benzoylation of <i>N</i>-phenyl-7-azaindoles.
Organic & biomolecular chemistry, 2022, 20, 1453-1461
7158490 CIFC31 H22 F2 O4P 1 21 17.8605; 11.7131; 13.7225
90; 94.58; 90
1259.41Kudale, Vishal Suresh; Zheng, Sheng; Huang, Sheng-Hua; Chang, Yu-Lun; Wang, Jeh-Jeng
A metal-free strategy for the cross-dehydrogenative coupling of 1,3-dicarbonyl compounds with 2-methoxyethanol.
Organic & biomolecular chemistry, 2022, 20, 1226-1230
7158491 CIFC31 H21 N O2P 1 21/n 15.9854; 20.6879; 18.0213
90; 95.78; 90
2220.15Kudale, Vishal Suresh; Zheng, Sheng; Huang, Sheng-Hua; Chang, Yu-Lun; Wang, Jeh-Jeng
A metal-free strategy for the cross-dehydrogenative coupling of 1,3-dicarbonyl compounds with 2-methoxyethanol.
Organic & biomolecular chemistry, 2022, 20, 1226-1230
7158492 CIFC23 H22 N4 O2P 1 21/n 112.0831; 9.0813; 18.423
90; 102.333; 90
1974.91Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan
Progress toward a biomimetic synthesis of pegaharmaline A.
Organic & biomolecular chemistry, 2022, 20, 1275-1283
7158493 CIFC13 H12 N2 O2P 1 21/c 115.7052; 5.036; 13.3544
90; 90.211; 90
1056.21Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan
Progress toward a biomimetic synthesis of pegaharmaline A.
Organic & biomolecular chemistry, 2022, 20, 1275-1283
7158494 CIFC21 H20 N4 OP 1 21/n 113.5402; 7.8769; 16.4206
90; 105.285; 90
1689.38Liyu, Jessica; Kim, Shi-Wei; Söhnel, Tilo; Sperry, Jonathan
Progress toward a biomimetic synthesis of pegaharmaline A.
Organic & biomolecular chemistry, 2022, 20, 1275-1283
7158495 CIFC45 H39 Cl3 I4 N14 O4P -113.4032; 13.4811; 19.0017
97.062; 100.428; 115.9
2957.3Zhao, Tian; Lynch, Vincent M.; Sessler, Jonathan L.
Tetradentate halogen bonding macrocyclic anion receptor inspired by the "Texas-sized" molecular box.
Organic & biomolecular chemistry, 2022, 20, 980-983
7158496 CIFC26 H19 N5 O2P 1 21/c 19.8332; 13.452; 16.081
90; 100.629; 90
2090.6Zhang, Xin-Ke; Miao, Xiao-Yu; Zhou, Yu; Wang, Yu-Mei; Song, Ying-Chun; Liu, Hang; Xiong, Yi-Lu; Li, Ling-Yu; Wu, An-Xin; Zhu, Yan-Ping
Iodine-catalyzed oxidative annulation: facile synthesis of pyrazolooxepinopyrazolones <i>via</i> methyl azaarene sp<sup>3</sup> C-H functionalization.
Organic & biomolecular chemistry, 2022, 20, 1236-1242
7158497 CIFC19 H19 N3 O2P -18.5358; 9.3335; 20.6119
95.328; 91.723; 90.573
1634.16Wang, Chunlian; Ji, Xiaochen; Deng, Guo-Jun; Huang, Huawen
Copper-catalyzed three-component <i>N</i>-alkylation of quinazolinones and azoles.
Organic & biomolecular chemistry, 2022, 20, 1200-1204
7158498 CIFC24 H18 F2 O SP 21 21 215.7949; 15.4144; 21.1109
90; 90; 90
1885.7Cai, Yingying; Liu, Chi; Liu, Guangying; Li, Chengxi; Jiang, Huanfeng; Zhu, Chuanle
Access to α,α-difluoro(arylthio)methyl oxetanes from α,α-difluoro(arylthio)methyl ketones and trimethylsulfoxonium halides: scope, mechanism and applications.
Organic & biomolecular chemistry, 2022, 20, 1500-1509
7158499 CIFC17 H18 F N O4P c a 2131.87; 5.876; 8.328
90; 90; 90
1560Larnaud, Florent; Calata, Charlène; Prunier, Anaïs; Le Guen, Clothilde; Legay, Rémi; Pfund, Emmanuel; Lequeux, Thierry
Convergent access to mono-fluoroalkene-based peptidomimetics.
Organic & biomolecular chemistry, 2022, 20, 1205-1218
7158500 CIFC36 H52 Cl3 N2 O P PdP -111.0002; 12.8129; 14.2811
93.8303; 97.7328; 110.112
1859.03Ng, Shan Shan; Chen, Zicong; Yuen, On Ying; So, Chau Ming
An indole-amide-based phosphine ligand enabling a general palladium-catalyzed sterically hindered Suzuki-Miyaura cross-coupling reaction.
Organic & biomolecular chemistry, 2022, 20, 1373-1378
7158501 CIFC15 H14 N2 O2P -17.6358; 9.0784; 9.7663
109.932; 107.117; 92.339
600.71McFadden, Timothy Patrick; Nwachukwu, Chideraa Iheanyi; Roberts, Andrew George
An amine template strategy to construct successive C-C bonds: synthesis of benzo[<i>h</i>]quinolines by a deaminative ring contraction cascade.
Organic & biomolecular chemistry, 2022, 20, 1379-1385
7158502 CIFC16 H16 N2 O2P 1 21/n 19.9992; 11.29; 12.2822
90; 105.733; 90
1334.6McFadden, Timothy Patrick; Nwachukwu, Chideraa Iheanyi; Roberts, Andrew George
An amine template strategy to construct successive C-C bonds: synthesis of benzo[<i>h</i>]quinolines by a deaminative ring contraction cascade.
Organic & biomolecular chemistry, 2022, 20, 1379-1385
7158503 CIFC21 H23 N O3P 1 21 18.2614; 13.2824; 8.9573
90; 110.019; 90
923.51Mao, Guoliang; Meng, Chenxiang; Cheng, Fangyuan; Wu, Wenbo; Gao, Yuan-Yuan; Li, Gao-Wei; Liu, Lantao
A palladium-catalyzed sequential Heck coupling/C-C bond activation approach to oxindoles with all-carbon-quaternary centers.
Organic & biomolecular chemistry, 2022, 20, 1642-1646
7158504 CIFC22 H23 F3 N2 OR 3 c :H32.7473; 32.7473; 9.7272
90; 90; 120
9033.78Ma, Wei-Wei; Yang, Chao; Xie, Qiang; Xu, Yun-He
Dienylation of <i>N</i>-benzoylhydrazones with CF<sub>3</sub>-substituted homoallenylboronates in water.
Organic & biomolecular chemistry, 2022, 20, 1386-1390
7158505 CIFC27 H30 N2 O2 SP 21 21 219.4321; 14.6668; 17.7584
90; 90; 90
2456.67Sun, Peng; Jia, Zi-Hao; Tang, Li; Zheng, Hao; Li, Zhang-Rui; Chen, Ling-Yan; Li, Ya
Enantioselective synthesis of 2-indolyl methanamine derivatives through disulfonimide-catalyzed Friedel-Crafts C2-alkylation of 3-substituted indoles with imines.
Organic & biomolecular chemistry, 2022, 20, 1916-1925
7158506 CIFC81 H18 N2 O5 S2C 1 2/c 130.736; 9.788; 32.682
90; 107.241; 90
9390Hashikawa, Yoshifumi; Murata, Yasujiro
Hydrogenation of cage-opened C<sub>60</sub> derivatives mediated by frustrated Lewis pairs.
Organic & biomolecular chemistry, 2022, 20, 1000-1003
7158507 CIFC30 H33 NP -112.0239; 14.1732; 17.0536
107.498; 103.65; 107.038
2477.1Hirao, Yasukazu; Eto, Hajime; Teraoka, Mitsuru; Kubo, Takashi
A strong hydride donating, acid stable and reusable 1,4-dihydropyridine for selective aldimine and aldehyde reductions.
Organic & biomolecular chemistry, 2022, 20, 1671-1679
7158508 CIFC14 H17 N3 O2 SP 1 21/c 110.1981; 13.4643; 11.1726
90; 116.517; 90
1372.73Chen, Jiewen; Tian, Jinhong; Wen, Kangmei; Gao, Qiwen; Shi, Jie; Yao, Xingang; Wu, Ting; Tang, Xiaodong
A new method for C(sp<sup>2</sup>)-H sulfonylmethylation with glyoxylic acid and sodium sulfinates.
Organic & biomolecular chemistry, 2022, 20, 1652-1655
7158509 CIFC41 H45 N O3 SiP 1 21 110.8331; 24.5894; 13.8643
90; 107.06; 90
3530.7He, Xuefeng; Buchotte, Marie; Guillot, Régis; Deloisy, Sandrine; Aitken, David J.
A case study of the MAC (masked acyl cyanide) oxyhomologation of <i>N</i>,<i>N</i>-dibenzyl-L-phenylalaninal with <i>anti</i> diastereoselectivity: preparation of (2<i>S</i>,3<i>S</i>)-allophenylnorstatin esters.
Organic & biomolecular chemistry, 2022, 20, 1769-1781
7158510 CIFC24 H21 N O2P -19.8259; 9.8256; 10.8672
97.864; 108.797; 103.162
941.65Zhang, Yaohong; Luo, Mengqiang; Zhang, Yichan; Cheng, Kai; Li, Yong; Qi, Chenze; Shen, Runpu; Wang, Hai
CuCl<sub>2</sub>·2H<sub>2</sub>O/TBHP mediated synthesis of β-enaminones <i>via</i> coupling reaction of vinyl azides with aldehydes.
Organic & biomolecular chemistry, 2022, 20, 1952-1957
7158511 CIFC20 H14 Br N3 OP b c n19.5352; 14.0585; 13.9778
90; 90; 90
3838.8Wang, Wang; Zou, Pei-Sen; Pang, Li; Lei, Yao; Huang, Zi-Yi; Chen, Nan-Ying; Mo, Dong-Liang; Pan, Cheng-Xue; Su, Gui-Fa
Synthesis of spiroindolenine-3,3'-pyrrolo[2,1-<i>b</i>]quinazolinones through gold(I)-catalyzed dearomative cyclization of <i>N</i>-alkynyl quinazolinone-tethered indoles.
Organic & biomolecular chemistry, 2022, 20, 2069-2074
7158512 CIFC24 H19 N O3 SP c a 218.25955; 10.43795; 22.5124
90; 90; 90
1940.86Wan, Qiuling; Xin, Luoting; Zhang, Jian; Huang, Xueliang
Efficient access to 1,3,4-trisubstituted pyrroles <i>via</i> gold-catalysed cycloisomerization of 1,5-diynes.
Organic & biomolecular chemistry, 2022, 20, 1647-1651
7158513 CIFC24 H18 F N O4 SP -17.1439; 10.734; 14.451
72.259; 81.41; 72.811
1006.2Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang
Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.
Organic & biomolecular chemistry, 2022, 20, 1900-1906
7158514 CIFC17 H12 O3P 1 21 111.849; 8.586; 12.73
90; 94.872; 90
1290.4Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang
Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.
Organic & biomolecular chemistry, 2022, 20, 1900-1906
7158515 CIFC20 H20 Cl N O2 SP 1 21/n 19.4606; 15.2394; 13.4503
90; 108.685; 90
1836.98Wang, Jiateng; Zhuang, Yunqing; Zhao, Jie; Bi, Yusong; Li, Chunyan; Bi, Gehua; Yang, Kai; Huang, Xin; Zhang, Weimin
Copper-catalyzed direct sulfenoamination of saturated ketones <i>via in situ</i> formed enaminones.
Organic & biomolecular chemistry, 2022, 20, 1749-1753
7158516 CIFC4.6 H3.4 Cl0 N0.6 O0.3 S0.2P 1 21/n 116.23; 6.6999; 19.3383
90; 98.587; 90
2079.3Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu
Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.
Organic & biomolecular chemistry, 2022, 20, 1982-1993
7158517 CIFC3.6 H2.8 N0.4 O0.4 S0.2P c c n26.8368; 8.8018; 12.945
90; 90; 90
3057.77Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu
Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.
Organic & biomolecular chemistry, 2022, 20, 1982-1993
7158518 CIFC3.58 H3.58 N0.21 O0.42 S0.21P 1 21/c 112.5624; 11.3761; 10.369
90; 99.523; 90
1461.42Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu
Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.
Organic & biomolecular chemistry, 2022, 20, 1982-1993
7158519 CIFC3.56 H3.33 N0.22 O0.44 S0.22P 1 21/n 16.5115; 10.484; 20.277
90; 94.411; 90
1380.1Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu
Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.
Organic & biomolecular chemistry, 2022, 20, 1982-1993

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