Crystallography Open Database

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7156830 CIFC1.69 H1.38 B0.12 F0.25 N0.25P 1 21/c 112.522; 15.93; 13.262
90; 114.631; 90		2404.7Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Boens, Noël; Jiao, Lijuan
Highly regioselective α-formylation and α-acylation of BODIPY dyes via tandem cross-dehydrogenative coupling with in situ deprotection.
Organic & biomolecular chemistry, 2019, 17, 5121-5128
7156835 CIFC10 H10 F3 N O2P 1 21 16.6617; 6.6834; 22.736
90; 95.148; 90		1008.19Otevrel, Jan; Svestka, David; Bobal, Pavel
Bianthryl-based organocatalysts for the asymmetric Henry reaction of fluoroketones.
Organic & biomolecular chemistry, 2019, 17, 5244-5248
7157069 CIFC10 H12 Br NP 21 21 2116.0321; 6.1532; 9.7828
90; 90; 90		965.06Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.
P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.
Organic & biomolecular chemistry, 2019, 17, 8690-8694
7156911 CIFC10 H12 N2 O4P 1 21/n 17.8544; 14.026; 9.9668
90; 110.854; 90		1026.07Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias
Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.
Organic & biomolecular chemistry, 2019, 17, 6489-6496
7156912 CIFC10 H12 N2 O4P -17.6784; 7.8448; 9.1114
91.933; 101.72; 105.491		515.61Schulze, Daniel; Traber, Juliane; Ritter, Marcel; Görls, Helmar; Pohnert, Georg; Westerhausen, Matthias
Total syntheses of the bilirubin oxidation end product Z-BOX C and its isomeric form Z-BOX D.
Organic & biomolecular chemistry, 2019, 17, 6489-6496
7156920 CIFC10 H17 N3 O2P 1 21/n 19.7186; 11.7583; 20.8375
90; 96.0696; 90		2367.84Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.
Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.
Organic & biomolecular chemistry, 2019, 17, 6566-6569
7156970 CIFC10 H19 Cl N O4P 21 21 217.9383; 8.9382; 16.392
90; 90; 90		1163.08Foucart, Quentin; Shimadate, Yuna; Marrot, Jérôme; Kato, Atsushi; Désiré, Jérôme; Blériot, Yves
Synthesis and glycosidase inhibition of conformationally locked DNJ and DMJ derivatives exploiting a 2-oxo-C-allyl iminosugar.
Organic & biomolecular chemistry, 2019, 17, 7204-7214
1552259 CIFC10 H6 Cl N O2P 1 21/c 18.082; 5.884; 19.02
90; 101.21; 90		887.2Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng
B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.
Organic & biomolecular chemistry, 2019, 17, 8354-8357
7157131 CIFC10 H7 Br Cl F FeP 1 21/n 16.5459; 10.4479; 15.037
90; 91.505; 90		1028Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.
From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.
Organic & biomolecular chemistry, 2019, 17, 9352-9359
7156598 CIFC10 H7 Br I NP b c a10.5281; 7.794; 25.907
90; 90; 90		2125.8Wang, Fang; Zhang, Xinying; He, Yan; Fan, Xuesen
Selective synthesis of pyrrolidin-2-ones and 3-iodopyrroles via the ring contraction and deformylative functionalization of piperidine derivatives.
Organic & biomolecular chemistry, 2018, 17, 156-164
7157136 CIFC10 H7 Cl F Fe IP 1 21/c 16.6845; 15.913; 10.315
90; 99.375; 90		1082.6Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.
From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.
Organic & biomolecular chemistry, 2019, 17, 9352-9359
7157132 CIFC10 H7 F Fe I2P 1 21/c 112.21; 28.6668; 6.6319
90; 100.875; 90		2279.6Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.
From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.
Organic & biomolecular chemistry, 2019, 17, 9352-9359
7157113 CIFC10 H8 Br N OP -15.6468; 12.0159; 14.1013
81.991; 89.552; 82.145		938.51Xu, Kang; Yang, Ruiqi; Yang, Shuang; Jiang, Cheng; Ding, Zhenhua
Hypervalent iodane mediated reactions of N-acetyl enamines for the synthesis of oxazoles and imidazoles.
Organic & biomolecular chemistry, 2019, 17, 8977-8981
7156738 CIFC10 H8 Cl2 O4P 1 21/a 17.1904; 17.064; 8.726
90; 100.039; 90		1054.3Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne
Total synthesis of spiromastilactone A.
Organic & biomolecular chemistry, 2019, 17, 3819-3824
7157125 CIFC10 H9 F2 N3 OI 1 2/a 115.8495; 10.2381; 13.1866
90; 104.544; 90		2071.2You, Yi; Chen, Yueji; You, Chenhui; Wang, Junwen; Weng, Zhiqiang
Synthesis of 3-(tri/difluoromethyl)-1H-1,2,4-triazol-5(4H)-ones via the cyclization of hydrazinecarboxamides with tri/difluoroacetic anhydride.
Organic & biomolecular chemistry, 2019, 17, 9343-9347
7156694 CIFC10.5 H10 N O3.5P 1 21 16.5334; 16.5353; 9.6045
90; 99.396; 90		1023.7Yang, Mengchen; Chen, Chen; Yi, Xing; Li, Yuan; Wu, Xiaoqin; Li, Qingshan; Ban, Shurong
Thiosquaramide-catalysed asymmetric double Michael addition of 2-(3H)-furanones to nitroolefines.
Organic & biomolecular chemistry, 2019, 17, 2883-2886
7156869 CIFC100 H35 O20P 1 21/c 121.893; 16.15; 20.433
90; 95.293; 90		7193.7Kraevaya, Ol'ga A.; Peregudov, Alexander S.; Troyanov, Sergey I.; Godovikov, Ivan; Fedorova, Natalya E.; Klimova, Regina R.; Sergeeva, Vasilina A.; Kameneva, Larisa V.; Ershova, Elizaveta S.; Martynenko, Vyacheslav M.; Claes, Sandra; Kushch, Alla A.; Kostyuk, Svetlana V.; Schols, Dominique; Shestakov, Alexander F.; Troshin, Pavel A.
Diversion of the Arbuzov reaction: alkylation of C-Cl instead of phosphonic ester formation on the fullerene cage.
Organic & biomolecular chemistry, 2019, 17, 7155-7160
7156802 CIFC11 H10 Cl0 N O S0.1P 1 21/c 112.5619; 19.642; 9.1574
90; 100.832; 90		2219.25Liu, Caiyan; Shen, Yongli; Yuan, Kedong
Non-directed copper-catalyzed regioselective C-H sulfonylation of phenothiazines.
Organic & biomolecular chemistry, 2019, 17, 5009-5013
7156651 CIFC11 H10 O3 SP n m a23.014; 6.551; 6.696
90; 90; 90		1009.5Wang, Miao; Tang, Bo-Cheng; Ma, Jin-Tian; Wang, Zi-Xuan; Xiang, Jia-Chen; Wu, Yan-Dong; Wang, Jun-Gang; Wu, An-Xin
I<sub>2</sub>/DMSO-mediated multicomponent reaction of o-hydroxyaryl methyl ketones, rongalite, and DMSO: access to C3-sulfenylated chromones.
Organic & biomolecular chemistry, 2019, 17, 1535-1541
7156808 CIFC11 H11 Cl F3 N OP 1 21/c 114.4474; 9.1512; 9.2001
90; 103.529; 90		1182.6Huang, Yubing; Hong, Huanliang; Zou, Zirong; Liao, Chunshu; Lu, Jingjun; Qin, Yongwei; Li, Yibiao; Chen, Lu
Electrochemical vicinal aminotrifluoromethylation of alkenes: high regioselective acquisition of β-trifluoromethylamines.
Organic & biomolecular chemistry, 2019, 17, 5014-5020
7156892 CIFC11 H12 B F2 N O3P 1 21/c 113.1705; 12.9185; 7.3648
90; 97.809; 90		1241.45Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156879 CIFC11 H14 B N O4P 1 21/c 113.3622; 9.2625; 8.695
90; 94.734; 90		1072.49Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin
Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.
Organic & biomolecular chemistry, 2019, 17, 5908-5912
7156392 CIFC11 H14 O3P 1 21/c 16.6421; 9.7101; 15.1008
90; 97.188; 90		966.28Lu, Yandong; Zhao, Shan; Zhou, Shijie; Chen, Si-Cong; Luo, Tuoping
Enantioselective syntheses and application of 4-epi-galiellalactone and the corresponding activity-based probe: from strained bicycles to strained tricycles.
Organic & biomolecular chemistry, 2019, 17, 1886-1892
7156746 CIFC11 H17 F3 N2 O2P -17.0958; 8.4262; 11.316
87.424; 82.903; 75.668		650.44Goryaeva, Marina V.; Kushch, Svetlana O.; Khudina, Olga G.; Burgart, Yanina V.; Kudyakova, Yulia S.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Sadretdinova, Lilya Sh; Evstigneeva, Natalya P.; Gerasimova, Natalya A.; Saloutin, Victor I.
Autocatalyzed three-component cyclization of polyfluoroalkyl-3-oxo esters, methyl ketones and alkyl amines: a novel approach to 3-alkylamino-5-hydroxy-5-polyfluoroalkylcyclohex-2-en-1-ones.
Organic & biomolecular chemistry, 2019, 17, 4273-4280
7156921 CIFC11 H19 N3 O2P c c n11.6022; 22.9041; 9.5733
90; 90; 90		2544Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.
Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.
Organic & biomolecular chemistry, 2019, 17, 6566-6569
7157006 CIFC11 H24 N2 SP 43 21 212.9053; 12.9053; 16.087
90; 90; 90		2679.24Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin
Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.
Organic & biomolecular chemistry, 2019, 17, 7782-7793
7156642 CIFC11 H4 F4 N2 O3P 1 21/c 17.4591; 10.786; 26.797
90; 91.012; 90		2155.6Brittain, William D. G.; Cobb, Steven L.
Tetrafluoropyridyl (TFP): a general phenol protecting group readily cleaved under mild conditions.
Organic & biomolecular chemistry, 2019, 17, 2110-2115
1552260 CIFC11 H8 Cl N O2P 1 21/c 110.406; 9.108; 10.949
90; 104.637; 90		1004Wang, Qiaotian; Feng, Xiangqing; Meng, Wei; Du, Haifeng
B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed divergent cyanosilylations of chromones dependent on temperature.
Organic & biomolecular chemistry, 2019, 17, 8354-8357
7156768 CIFC11 H8 O3 SC 1 2/c 116.1338; 8.5259; 14.364
90; 114.544; 90		1797.31Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.
Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.
Organic & biomolecular chemistry, 2019, 17, 4990-5000
7156876 CIFC11 H9 N3 O6 SP b c a6.495; 17.713; 21.586
90; 90; 90		2483Lin, Yifan; Zhang, Ke; Gao, Mingchun; Jiang, Zheyi; Liu, Jiajie; Ma, Yurui; Wang, Haoyu; Tan, Qitao; Xiao, Junjie; Xu, Bin
Copper nitrate-mediated synthesis of 3-aryl isoxazolines and isoxazoles from olefinic azlactones.
Organic & biomolecular chemistry, 2019, 17, 5509-5513
7156605 CIFC11.5 H10.5 N1.5 OP 1 21 110.5966; 7.8609; 11.8783
90; 114.143; 90		902.899Liu, Zhiwen; Ma, Liang; Zhang, Liping; Zhang, Wenjun; Zhu, Yiguang; Chen, Yuchan; Zhang, Weimin; Zhang, Changsheng
Functional characterization of the halogenase SpmH and discovery of new deschloro-tryptophan dimers.
Organic & biomolecular chemistry, 2019, 17, 1053-1057
7156667 CIFC12 H0.12 N4 SP b c a14.8813; 8.3305; 18.5422
90; 90; 90		2298.7Miao, Jiankang; Zhang, Yahui; Sang, Xiaoyan; Hao, Wenyan
A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines.
Organic & biomolecular chemistry, 2019, 17, 2336-2340
7156925 CIFC12 H10 I N OP 1 21/c 114.336; 4.975; 16.193
90; 106.346; 90		1108.2Jaiswal, Yogesh; Kumar, Yogesh; Kumar, Amit
The palladium(ii)-catalyzed regioselective ortho-C-H bromination/iodination of arylacetamides with in situ generated imidic acid as the directing group: mechanistic exploration.
Organic & biomolecular chemistry, 2019, 17, 6809-6820
7156763 CIFC12 H10 O2 S2P 1 21/n 17.4647; 10.1476; 14.7974
90; 97.68; 90		1110.83Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.
Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.
Organic & biomolecular chemistry, 2019, 17, 4990-5000
7157114 CIFC12 H11 Br N2 O2P b c a9.93; 9.524; 24.977
90; 90; 90		2362.2Xu, Kang; Yang, Ruiqi; Yang, Shuang; Jiang, Cheng; Ding, Zhenhua
Hypervalent iodane mediated reactions of N-acetyl enamines for the synthesis of oxazoles and imidazoles.
Organic & biomolecular chemistry, 2019, 17, 8977-8981
7157188 CIFC12 H13 Br O3P 1 21 15.845; 7.6852; 12.8843
90; 100.457; 90		569.15Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.
Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.
Organic & biomolecular chemistry, 2019, 17, 7398-7407
7156893 CIFC12 H14 B F2 N O3P b c a13.5273; 7.7581; 24.7812
90; 90; 90		2600.7Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156878 CIFC12 H16 B N O4P c a 2111.3174; 13.2547; 7.8913
90; 90; 90		1183.76Li, Kaicheng; Kelly, Michael A.; Gao, Jianmin
Biocompatible conjugation of Tris base to 2-acetyl and 2-formyl phenylboronic acid.
Organic & biomolecular chemistry, 2019, 17, 5908-5912
7157042 CIFC12 H6 Cl2 N2 O2P 1 21/c 110.4975; 14.8593; 7.2597
90; 101.37; 90		1110.18Sreenivasa Rao, Ramana; Shajan, Femil Joseph; Reddy, D. Srinivasa
A route to access imidazol[1,5-a]indole-1,3-diones and pyrrolo[1,2-c]imidazole-1,3-diones.
Organic & biomolecular chemistry, 2019, 17, 8384-8390
7156762 CIFC12 H9 Cl O2 S2P -17.2227; 8.8688; 9.7985
72.745; 86.41; 77		584.04Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Lyssenko, Konstantin A.; Shirinian, Valerii Z.
Photorearrangement of dihetarylethenes as a tool for the benzannulation of heterocycles.
Organic & biomolecular chemistry, 2019, 17, 4990-5000
7156650 CIFC120 H164 N20 O18F d d 227.0176; 36.9735; 14.7072
90; 90; 90		14691.5Chávez-Riveros, Alejandra; Hernández-Vázquez, Eduardo; Nieto-Camacho, Antonio; Ramírez-Apan, Teresa; Miranda, Luis D.
Synthesis of diphenylamine macrocycles and their anti-inflammatory effects.
Organic & biomolecular chemistry, 2019, 17, 1423-1435
7156952 CIFC122 H158 Cl6 N12 O24I 1 2 123.7456; 29.0274; 27.4514
90; 101.549; 90		18538.4Kiesilä, Anniina; Beyeh, Ngong Kodiah; Moilanen, Jani O.; Puttreddy, Rakesh; Götz, Sven; Rissanen, Kari; Barran, Perdita; Lützen, Arne; Kalenius, Elina
Thermodynamically driven self-assembly of pyridinearene to hexameric capsules.
Organic & biomolecular chemistry, 2019, 17, 6980-6984
7156619 CIFC13 H10 Br Cl N2 O2P 21 21 215.9701; 7.3338; 31.4408
90; 90; 90		1376.59Yu, Kun-Ming; Zhu, Hui-Kai; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin
Organocatalyzed asymmetric tandem conjugate addition-protonation of isocyanoacetates to 2-chloroacrylonitrile.
Organic & biomolecular chemistry, 2019, 17, 639-645
7156955 CIFC13 H10 N2 O4 S3P 1 21/c 111.5057; 9.9709; 13.652
90; 105.1; 90		1512.1Li, Chengqiu; Long, Pingliang; Wu, Haopeng; Yin, Hongquan; Chen, Fu-Xue
N-Thiocyanato-dibenzenesulfonimide: a new electrophilic thiocyanating reagent with enhanced reactivity.
Organic & biomolecular chemistry, 2019, 17, 7131-7134
7156894 CIFC13 H11 B F2 N2 OP -18.8495; 9.1023; 9.2653
62.94; 89.372; 69.175		610.93Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Organic & biomolecular chemistry, 2019, 17, 6497-6505
7156687 CIFC13 H12 N4 O2P -18.5827; 11.8639; 12.5606
74.85; 89.545; 88.331		1234Liu, Teng; Ji, Yi-Gang; Wu, Lei
tert-Butyl nitrite-mediated radical cyclization of tetrazole amines and alkynes toward tetrazolo[1,5-a]quinolines.
Organic & biomolecular chemistry, 2019, 17, 2619-2623
7156800 CIFC13 H14 N2 O0.07P c a 2120.4023; 16.0765; 11.2547
90; 90; 90		3691.5Bakthadoss, Manickam; Raman, Selvakumar; Mushaf, Mohammad
A rearrangement involving a solid-state melt reaction for the synthesis of multifunctional tetrasubstituted olefins.
Organic & biomolecular chemistry, 2019, 17, 4767-4773
7157128 CIFC13 H16 Br F Fe SiP 1 21/c 119.502; 11.7498; 13.23
90; 107.235; 90		2895.5Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.
From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.
Organic & biomolecular chemistry, 2019, 17, 9352-9359
7157137 CIFC13 H16 Br F Fe SiP 1 21/c 117.276; 6.8553; 12.095
90; 100.988; 90		1406.2Tazi, Mehdi; Erb, William; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence; Low, Paul J.
From ferrocene to fluorine-containing penta-substituted derivatives and all points in-between; or, how to increase the available chemical space.
Organic & biomolecular chemistry, 2019, 17, 9352-9359
7156971 CIFC13 H16 SP 1 21/c 112.8311; 7.0802; 12.066
90; 90.396; 90		1096.13Luo, Xianglin; Li, Yibiao; Chen, Xiuwen; Song, Zhiyan; Liang, Junyi; Liao, Chunshu; Zhu, Zhongzhi; Chen, Lu
(Z)-Tetrahydrothiophene and (Z)-tetrahydrothiopyran synthesis through nucleophilic substitution and intramolecular cycloaddition of alkynyl halides and EtOCS<sub>2</sub>K.
Organic & biomolecular chemistry, 2019, 17, 7315-7319

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