Crystallography Open Database

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7156343 CIFC24 H20 Br N3 O4P -19.0719; 11.2308; 11.5065
80.422; 76.363; 70.848
1071.15Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo
Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.
Organic & biomolecular chemistry, 2018, 16, 5816-5822
7156344 CIFC29 H28 Cl N3 O3P -19.933; 12.4636; 23.3748
93.564; 97.108; 113.474
2614.1Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo
Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.
Organic & biomolecular chemistry, 2018, 16, 5816-5822
7156345 CIFC17 H20 F N O4P 1 21/c 16.44998; 20.5679; 23.9334
90; 94.4481; 90
3165.5Griggs, Samuel D.; Thompson, Nathan; Tape, Daniel T.; Fabre, Marie; Clarke, Paul A.
Synthesis of highly substituted 2-spiropiperidines.
Organic & biomolecular chemistry, 2018, 16, 6663-6674
7156346 CIFC24 H19 I N2 O SP -18.6049; 11.226; 12.391
113.15; 98.39; 96.47
1069.6Wu, Jing; Kong, Yuanfang; Liu, Lingyan; Chang, Weixing; Li, Jing
Metal-free multicomponent cascade reactions of homopropargylic amines and acyl chlorides as well as potassium thiocyanate and diiodine: an access to thiazine imides.
Organic & biomolecular chemistry, 2018, 16, 5955-5959
7156347 CIFC19 H14 N2 O3P c c n10.8798; 18.4104; 14.5081
90; 90; 90
2905.99Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.
Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.
Organic & biomolecular chemistry, 2018, 16, 6006-6016
7156348 CIFC31 H25 N3 O4 SP 1 21/c 123.5193; 11.6263; 9.3856
90; 90.966; 90
2566.1Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.
Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.
Organic & biomolecular chemistry, 2018, 16, 6006-6016
7156349 CIFC23 H18 N2 O6C 1 2/c 123.9584; 9.6484; 16.009
90; 90.165; 90
3700.6Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.
Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.
Organic & biomolecular chemistry, 2018, 16, 6006-6016
7156350 CIFC42 H35.85 Cl4.15 N4 O8P 21 21 2110.5565; 14.9406; 25.9563
90; 90; 90
4093.84Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.
Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.
Organic & biomolecular chemistry, 2018, 16, 6006-6016
7156351 CIFC22 H18 N2 O4P 21 21 218.6464; 11.41283; 17.69376
90; 90; 90
1746.02Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.
Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.
Organic & biomolecular chemistry, 2018, 16, 6006-6016
7156352 CIFC28 H28 O12P -19.4743; 10.9625; 15.3255
69.302; 81.446; 65.245
1352.17Duong, Thuc-Huy; Beniddir, Mehdi A.; Genta-Jouve, Grégory; Aree, Thammarat; Chollet-Krugler, Marylène; Boustie, Joël; Ferron, Solenn; Sauvager, Aurélie; Nguyen, Huu-Hung; Nguyen, Kim-Phi-Phung; Chavasiri, Warinthorn; Le Pogam, Pierre
Tsavoenones A-C: unprecedented polyketides with a 1,7-dioxadispiro[4.0.4.4]tetradecane core from the lichen Parmotrema tsavoense.
Organic & biomolecular chemistry, 2018, 16, 5913-5919
7156353 CIFC25 H22 N4 O6P 1 21/c 17.6583; 11.7333; 25.007
90; 95.687; 90
2236Gao, Xing; Shan, Chunhui; Chen, Zhihao; Liu, Yan; Zhao, Xia; Zhang, Ao; Yu, Peng; Galons, Hervé; Lan, Yu; Lu, Kui
One-pot synthesis of β-lactams by the Ugi and Michael addition cascade reaction.
Organic & biomolecular chemistry, 2018, 16, 6096-6105
7156354 CIFC55 H58 N2 O9 SP 21 21 2111.1611; 18.4375; 23.2735
90; 90; 90
4789.3Łęczycka-Wilk, Katarzyna; Ulatowski, Filip; Cmoch, Piotr; Jarosz, Sławomir
"Choose-a-size" control in the synthesis of sucrose based urea and thiourea macrocycles.
Organic & biomolecular chemistry, 2018, 16, 6063-6069
7156355 CIFC34 H33 N3 O6P -111.2505; 11.5713; 13.0127
86.119; 84.314; 65.589
1534.3Guo, Jiaomei; Zhao, Yang; Fang, Dongmei; Wang, Qilin; Bu, Zhanwei
Diastereoselective construction of pyrrolo[2,1-a]isoquinoline-based bispirooxindoles through a three-component [3 + 2] cycloaddition.
Organic & biomolecular chemistry, 2018, 16, 6025-6034
7156356 CIFC11 H6 F7 N2P b c a9.1202; 8.3186; 33.169
90; 90; 90
2516.4Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo
Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.
Organic & biomolecular chemistry, 2018, 16, 6634-6637
7156357 CIFC9 H8 F2 N2P 1 21/n 14.3659; 22.675; 8.74
90; 92.88; 90
864.1Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo
Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.
Organic & biomolecular chemistry, 2018, 16, 6634-6637
7156358 CIFC26 H29 N3 O4P 1 21 18.9053; 29.8896; 10.0393
90; 113.921; 90
2442.69Cai, Yue; Gu, Qing; You, Shu-Li
Chemoselective N-H functionalization of indole derivatives via the Reissert-type reaction catalyzed by a chiral phosphoric acid.
Organic & biomolecular chemistry, 2018, 16, 6146-6154
7156359 CIFC23 H14 O2P b c n9.1068; 13.5461; 26.1677
90; 90; 90
3228.1Addepalli, Yesu; Yu, Zhimei; Ji, Jie; Zou, Cheng; Wang, Zhen; He, Yun
Tandem Diels-Alder/oxidation-aromatization reactions involving 2-styrylchromones and arynes.
Organic & biomolecular chemistry, 2018, 16, 6077-6085
7156360 CIFC16 H14 Cl N O2P 4110.1392; 10.1392; 28.1205
90; 90; 90
2890.9Shao, Ling-Yan; Xu, Zhi; Wang, Cun-Ying; Fu, Xiao-Pan; Chen, Miao-Miao; Liu, Hong-Wei; Ji, Ya-Fei
Palladium-catalyzed direct mono-aroylation of O-arylmethyl and aryl-substituted acetoxime ethers.
Organic & biomolecular chemistry, 2018, 16, 6284-6294
7156361 CIFC21 H17 N3 OP 1 21 18.863; 6.941; 14.038
90; 104.114; 90
837.52Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil
Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.
Organic & biomolecular chemistry, 2018, 16, 6123-6132
7156362 CIFC24 H19 N3 O3P 1 21/n 19.4056; 7.0317; 28.179
90; 94.395; 90
1858.2Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil
Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.
Organic & biomolecular chemistry, 2018, 16, 6123-6132
7156363 CIFC18 H19 N O6C 1 2/c 19.2351; 14.6347; 25.4336
90; 96.9605; 90
3412.09Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio
2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.
Organic & biomolecular chemistry, 2018, 16, 5965-5968
7156364 CIFC17 H19 Br O6P 1 21/n 15.15537; 43.3613; 8.36326
90; 111.741; 90
1736.56Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio
2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.
Organic & biomolecular chemistry, 2018, 16, 5965-5968
7156365 CIFC18 H19 N O6P 1 21/n 19.59148; 8.88839; 20.6593
90; 95.3754; 90
1753.52Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio
2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.
Organic & biomolecular chemistry, 2018, 16, 5965-5968
7156366 CIFC44 H43 N3 O8P 1 21 113.6734; 10.41568; 27.6271
90; 103.065; 90
3832.73Knudsen, Ida M. B.; Hedberg, Christinne; Ladefoged, Lucy Kate; Ide, Daisuke; Brinkø, Anne; Eikeland, Espen Z.; Kato, Atsushi; Jensen, Henrik H.
Divergent synthesis of new α-glucosidase inhibitors obtained through a vinyl Grignard-mediated carbocyclisation.
Organic & biomolecular chemistry, 2018, 16, 6250-6261
7156367 CIFC17 H10 Cl F2 N O2P 418.1375; 8.1375; 22.67
90; 90; 90
1501.18Sun, Zhou; Xiang, Kuirong; Tao, Hua; Guo, Liqun; Li, Ying
Synthesis of 2-substituted 3-chlorobenzofurans via TMSCl-mediated nucleophilic annulation of isatin-derived propargylic alcohols.
Organic & biomolecular chemistry, 2018, 16, 6133-6139
7156368 CIFC30 H22 N2 OP -19.6135; 10.5171; 12.3679
72.018; 70.4; 89.928
1113.15Yang, Kai; Bao, Xiaoze; Yao, Ye; Qu, Jingping; Wang, Baomin
Iodine-mediated cross-dehydrogenative coupling of pyrazolones and alkenes.
Organic & biomolecular chemistry, 2018, 16, 6275-6283
7156369 CIFC30 H31 N3 O4P -18.6452; 11.1356; 15.0205
108.623; 91.819; 111.122
1260.49Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.
Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.
Organic & biomolecular chemistry, 2018, 16, 6206-6223
7156370 CIFC28 H28 N2 O4.06P -110.5365; 10.715; 11.866
64.644; 70.132; 77.884
1135.3Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.
Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.
Organic & biomolecular chemistry, 2018, 16, 6206-6223
7156371 CIFC18 H21 B Br N O4P 1 21/n 16.9737; 23.8115; 11.0278
90; 98.529; 90
1810.96Pang, Yadong; Kojima, Ryoto; Ito, Hajime
Copper(i)-catalysed stereoselective debromoborylation of aliphatic 1,1-dibromo-1-alkenes with bis(pinacolato)diboron.
Organic & biomolecular chemistry, 2018, 16, 6187-6190
7156372 CIFC29 H42 O3P 1 21 110.811; 11.3987; 11.7982
90; 104.616; 90
1406.86Shan, Huanyu; Pan, Rihuang; Lin, Xufeng
Synthesis and application of a new chiral monodentate spiro phosphoramidite ligand based on hexamethyl-1,1'-spirobiindane backbone in asymmetric hydroamination/arylation of alkenes.
Organic & biomolecular chemistry, 2018, 16, 6183-6186
7156373 CIFC16 H20 B Br O4P 1 21/c 17.2446; 10.9482; 21.3662
90; 98.091; 90
1677.8Zi, You; Schömberg, Fritz; Seifert, Fabian; Görls, Helmar; Vilotijevic, Ivan
trans-Hydroboration vs. 1,2-reduction: divergent reactivity of ynones and ynoates in Lewis-base-catalyzed reactions with pinacolborane.
Organic & biomolecular chemistry, 2018, 16, 6341-6349
7156374 CIFC15 H11 N O2 SP 1 21/c 114.1337; 10.2364; 8.868
90; 97.306; 90
1272.6Li, Xiao-Fang; Shi, Lin-Feng; Zhang, Xing-Guo; Zhang, Xiao-Hong
Pd-Catalyzed C(sp<sup>2</sup>)-H aminocarbonylation using the Langlois reagent as a carbonyl source.
Organic & biomolecular chemistry, 2018, 16, 6438-6442
7156375 CIFC23 H28 Cl N3 O2C 1 c 127.492; 10.71; 20.869
90; 131.125; 90
4628.6Ren, Zhi-Lin; He, Ping; Lu, Wen-Ting; Sun, Mei; Ding, Ming-Wu
Synthesis of iminoisoindolinones via a cascade of the three-component Ugi reaction, palladium catalyzed isocyanide insertion, hydroxylation and an unexpected rearrangement reaction.
Organic & biomolecular chemistry, 2018, 16, 6322-6331
7156376 CIFC31 H26 N4 O6 SP 1 21 17.5644; 19.5682; 9.8133
90; 105.002; 90
1403.07Sharma, Vivek; Kaur, Anmolpreet; Sahoo, Subash Chandra; Chimni, Swapandeep Singh
Enantioselective 1,4-Michael addition reaction of pyrazolin-5-one derivatives with 2-enoylpyridines catalyzed by Cinchona derived squaramides.
Organic & biomolecular chemistry, 2018, 16, 6470-6478
7156377 CIFC66 H76 Cl12 N10P 1 21/c 111.7078; 23.2759; 12.9884
90; 90.62; 90
3539.3Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg
An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.
Organic & biomolecular chemistry, 2018, 16, 6586-6599
7156378 CIFC49 H56 B Cl3 N6C m c 2124.8236; 16.309; 10.9728
90; 90; 90
4442.3Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg
An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.
Organic & biomolecular chemistry, 2018, 16, 6586-6599
7156379 CIFC60 H70 N12 O ZnP 1 21/c 16.0419; 16.2175; 31.008
90; 95.305; 90
3025.3Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg
An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.
Organic & biomolecular chemistry, 2018, 16, 6586-6599
7156380 CIFC22 H24 F N O5P 1 21 17.53; 5.649; 23.594
90; 96.387; 90
997.4Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai
Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.
Organic & biomolecular chemistry, 2018, 16, 6507-6520
7156381 CIFC140 H160 N8 O24P 21 21 217.9683; 16.3532; 23.8547
90; 90; 90
3108.4Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai
Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.
Organic & biomolecular chemistry, 2018, 16, 6507-6520
7156382 CIFC40 H40 Br2 N2 O10P 1 21 16.6706; 25.351; 11.3316
90; 89.9; 90
1916.2Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai
Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.
Organic & biomolecular chemistry, 2018, 16, 6507-6520
7156383 CIFC19 H15 F2 N O2P -19.5617; 9.7384; 10.228
75.27; 68.659; 61.422
775.3Mai, Wen-Peng; Wang, Fei; Zhang, Xiao-Feng; Wang, Shi-Min; Duan, Qun-Peng; Lu, Kui
Nickel-catalysed radical tandem cyclisation/arylation: practical synthesis of 4-benzyl-3,3-difluoro-γ-lactams.
Organic & biomolecular chemistry, 2018, 16, 6491-6498
7156384 CIFC21 H21 N OP b c a14.3887; 9.1859; 24.515
90; 90; 90
3240.2Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min
Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.
Organic & biomolecular chemistry, 2018, 16, 6399-6404
7156385 CIFC21 H21 N OP -19.4746; 9.4905; 9.7931
78.081; 70.166; 77.527
800.24Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min
Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.
Organic & biomolecular chemistry, 2018, 16, 6399-6404
7156386 CIFC45 H45 Cl N O7 P PdP 21 21 219.1935; 14.7832; 30.8543
90; 90; 90
4193.39Russell, David A.; Freudenreich, Julien J.; Stewart, Hannah L.; Bond, Andrew D.; Sore, Hannah F.; Spring, David R.
Semi-syntheses of the 11-hydroxyrotenoids sumatrol and villosinol.
Organic & biomolecular chemistry, 2018, 16, 6395-6398
7156387 CIFC17 H14 N2 O2 SP b c a14.4456; 9.07642; 22.7259
90; 90; 90
2979.69Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.
Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.
Organic & biomolecular chemistry, 2018, 16, 6405-6409
7156388 CIFC17 H14 N2 O2 SP 1 21/c 111.7047; 10.3186; 13.6857
90; 113.046; 90
1520.99Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.
Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.
Organic & biomolecular chemistry, 2018, 16, 6405-6409
7156389 CIFC26 H20 Cl N3 O8 SP -15.6165; 13.983; 16.7686
65.52; 88.6; 86.77
1196.6Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng
Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.
Organic & biomolecular chemistry, 2018, 16, 6647-6651
7156390 CIFC23 H23 Cl N2 O4P 1 21 18.8442; 10.8918; 11.5077
90; 90.266; 90
1108.52Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng
Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.
Organic & biomolecular chemistry, 2018, 16, 6647-6651
7156391 CIFC26 H29 O3 PP 1 21/n 19.6804; 24.788; 10.418
90; 109.906; 90
2350.5Chen, Yao-Zhong; Zhu, Jie; Wu, Jin-Jin; Wu, Lei
Organobase catalyzed straightforward synthesis of phosphinyl functionalized 2H-pyran cores from allenylphosphine oxides and 1,3-diones.
Organic & biomolecular chemistry, 2018, 16, 6675-6679
7156393 CIFC18 H19 Cl O2P 1 21/n 110.9261; 10.6284; 12.9254
90; 90.813; 90
1500.84Wu, Wanqing; Li, Can; Li, Jianxiao; Jiang, Huanfeng
Palladium-catalyzed cascade carboesterification of norbornene with alkynes.
Organic & biomolecular chemistry, 2018, 16, 8495-8504

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