Crystallography Open Database

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7156038 CIFC20 H15 N3 OC 1 2/c 132.653; 4.8634; 21.787
90; 119.984; 90
2996.8Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter
A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.
Organic & biomolecular chemistry, 2018, 16, 717-732
7156039 CIFC21 H20 Cl N3 O3 SP 1 21/c 120.255; 7.228; 14.842
90; 107.35; 90
2074Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter
A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.
Organic & biomolecular chemistry, 2018, 16, 717-732
7156040 CIFC23 H20 O3P 1 21/c 114.4555; 5.39; 22.7358
90; 100.038; 90
1744.35Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo
Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.
Organic & biomolecular chemistry, 2018, 16, 480-489
7156041 CIFC24 H20 O4P -16.7449; 11.3462; 12.9292
67.033; 83.287; 88.921
904.39Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo
Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.
Organic & biomolecular chemistry, 2018, 16, 480-489
7156042 CIFC21 H13 I O4P -17.76154; 14.0693; 16.6303
103.626; 100.792; 99.5738
1691.05Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo
Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.
Organic & biomolecular chemistry, 2018, 16, 480-489
7156043 CIFC24 H19 I O4P 1 21/c 112.5028; 9.0127; 17.7036
90; 103.877; 90
1936.69Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo
Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.
Organic & biomolecular chemistry, 2018, 16, 480-489
7156044 CIFC25 H21 I O4P -16.7649; 12.8471; 24.6221
82.354; 86.293; 88.097
2115.77Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo
Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.
Organic & biomolecular chemistry, 2018, 16, 480-489
7156045 CIFC24 H22 O3P 1 21/c 127.2601; 10.403; 26.2305
90; 90.833; 90
7437.8Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo
Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.
Organic & biomolecular chemistry, 2018, 16, 480-489
7156046 CIFC14 H23 N O2P 21 21 217.7672; 9.3611; 19.2665
90; 90; 90
1400.86Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo
Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.
Organic & biomolecular chemistry, 2018, 16, 771-779
7156047 CIFC27 H43 N O4 SiC 1 2 133.616; 7.9053; 11.1852
90; 91.38; 90
2971.5Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo
Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.
Organic & biomolecular chemistry, 2018, 16, 771-779
7156048 CIFC20 H17 Br O3C 1 2 118.502; 7.545; 14.387
90; 119.633; 90
1745.7Li, Kun; Zhu, Fu-Lin; Liu, Zhen-Ting; Tong, Jing; Hu, Xiang-Ping
Decarboxylation-promoted Pd-catalyzed asymmetric propargylic [3 + 2] annulation for the enantioselective construction of a quaternary stereocenter in 2,3-dihydrofurans.
Organic & biomolecular chemistry, 2018, 16, 742-749
7156049 CIFC12 H16 O2P 1 21/c 115.4159; 16.6808; 17.397
90; 106.212; 90
4295.7Meng, Zhe; Liu, Bo
Total synthesis of five natural eremophilane-type sesquiterpenoids.
Organic & biomolecular chemistry, 2018, 16, 957-962
7156050 CIFC12 H16 O3P -17.3633; 8.6583; 9.2145
95.128; 98.931; 111.272
533.98Meng, Zhe; Liu, Bo
Total synthesis of five natural eremophilane-type sesquiterpenoids.
Organic & biomolecular chemistry, 2018, 16, 957-962
7156051 CIFC14 H20 O4P 1 21/c 115.0329; 7.9949; 11.4441
90; 97.344; 90
1364.14Meng, Zhe; Liu, Bo
Total synthesis of five natural eremophilane-type sesquiterpenoids.
Organic & biomolecular chemistry, 2018, 16, 957-962
7156052 CIFC54 H60 N4 O8P 21 21 2110.7257; 11.3249; 39.4835
90; 90; 90
4795.96Grajewski, J.; Piotrowska, K.; Zgorzelak, M.; Janiak, A.; Biniek-Antosiak, K; Rychlewska, U.; Gawronski, J.
Introduction of axial chirality at a spiro carbon atom in the synthesis of pentaerythritol-imine macrocycles.
Organic & biomolecular chemistry, 2018, 16, 981-987
7156053 CIFC28 H26 N2 O4P 1 21/n 111.2591; 10.2596; 19.9617
90; 91.988; 90
2304.5Shang, Xinye; Liu, Kun; Zhang, Zhongyin; Xu, Xianhong; Li, Pengfei; Li, Wenjun
Direct access to spirobiisoxazoline via the double 1,3-dipolar cycloaddition of nitrile oxide with allenoate.
Organic & biomolecular chemistry, 2018, 16, 895-898
7156054 CIFC31 H23 Br F N3 O4P 21 21 219.608; 9.984; 28.09
90; 90; 90
2695Wu, Shiqi; Zhu, Guodong; Wei, Shiqiang; Chen, Hongbo; Qu, Jingping; Wang, Baomin
Organocatalytic [3 + 2] cycloaddition of oxindole-based azomethine ylides with 3-nitrochromenes: a facile approach to enantioenriched polycyclic spirooxindole-chromane adducts.
Organic & biomolecular chemistry, 2018, 16, 807-815
7156055 CIFC43 H47 B N2 O3P 21 21 219.6421; 18.6118; 20.0924
90; 90; 90
3605.7Setner, B.; Wierzbicka, M.; Jerzykiewicz, L.; Lisowski, M.; Szewczuk, Z.
The unexpected racemization and hydrogen-deuterium exchange of the hydrogen at the α-carbon of proline analogs containing the 5-azoniaspiro[4.4]nonyl-group.
Organic & biomolecular chemistry, 2018, 16, 825-831
7156056 CIFC23 H30 N2 O4 SP 21 21 219.7197; 12.3037; 19.686
90; 90; 90
2354.2Castán, A; Badorrey, R.; Gálvez, J A; López-Ram-de-Víu, P; Díaz-de-Villegas, M D
Michael addition of carbonyl compounds to nitroolefins under the catalysis of new pyrrolidine-based bifunctional organocatalysts.
Organic & biomolecular chemistry, 2018, 16, 924-935
7156057 CIFC24 H20 I N OP b c a14.565; 11.48; 24.047
90; 90; 90
4020.8Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li
A catalyst-free intermolecular trans-iodoalkylation of alkynes.
Organic & biomolecular chemistry, 2018, 16, 899-903
7156058 CIFC28 H25 N O3P 1 21/c 112.79; 14.85; 12.068
90; 97.127; 90
2274.4Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li
A catalyst-free intermolecular trans-iodoalkylation of alkynes.
Organic & biomolecular chemistry, 2018, 16, 899-903
7156059 CIFC24 H19 Cl I N OP -19.2532; 9.542; 12.045
82.895; 86.591; 79.419
1036.7Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li
A catalyst-free intermolecular trans-iodoalkylation of alkynes.
Organic & biomolecular chemistry, 2018, 16, 899-903
7156060 CIFC33 H30 Cl2 N2 O2P 1 21/c 110.69; 28.425; 9.586
90; 111.155; 90
2716.5Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li
A catalyst-free intermolecular trans-iodoalkylation of alkynes.
Organic & biomolecular chemistry, 2018, 16, 899-903
7156061 CIFC12 H12 Cl2 N2P 1 21/c 113.368; 7.287; 14.142
90; 113.436; 90
1264Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.
E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.
Organic & biomolecular chemistry, 2018, 16, 1134-1143
7156062 CIFC17 H11 Cl O2P 21 21 216.1663; 12.6929; 17.4233
90; 90; 90
1363.7Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.
E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.
Organic & biomolecular chemistry, 2018, 16, 1134-1143
7156063 CIFC17 H11 Cl O2P 1 21 18.087; 6.124; 13.998
90; 91.49; 90
693Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.
E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.
Organic & biomolecular chemistry, 2018, 16, 1134-1143
7156064 CIFC16 H13 Cl O2P b c a8.858; 11.306; 27.121
90; 90; 90
2716.1Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.
E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.
Organic & biomolecular chemistry, 2018, 16, 1134-1143
7156065 CIFC16 H13 Cl OP b c a8.8054; 11.6093; 26.7629
90; 90; 90
2735.8Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.
E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.
Organic & biomolecular chemistry, 2018, 16, 1134-1143
7156066 CIFC16 H13 Cl O2P 1 21/c 114.28; 9.823; 9.912
90; 98.27; 90
1376Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.
E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.
Organic & biomolecular chemistry, 2018, 16, 1134-1143
7156067 CIFC16 H13 Br F N O4P 21 21 229.849; 7.002; 7.688
90; 90; 90
1606.81Huang, Jian Qiang; Nairoukh, Zackaria; Marek, Ilan
Electrophilic fluorination of stereodefined disubstituted silyl ketene hemiaminals en route to tertiary α-fluorinated carbonyl derivatives.
Organic & biomolecular chemistry, 2018, 16, 1079-1082
7156068 CIFC23 H21 N3 O3I 1 2/a 112.091; 12.635; 25.986
90; 92.324; 90
3967Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay
Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.
Organic & biomolecular chemistry, 2018, 16, 963-980
7156069 CIFC22 H17 N OP 1 21/n 110.117; 13.923; 12.307
90; 99.313; 90
1710.7Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay
Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.
Organic & biomolecular chemistry, 2018, 16, 963-980
7156070 CIFC22 H17 N OP -16.6454; 8.8659; 15.1694
94.198; 102.08; 102.439
846.86Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay
Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.
Organic & biomolecular chemistry, 2018, 16, 963-980
7156071 CIFC24 H17 N O3C 1 2/c 120.649; 10.8202; 20.1324
90; 126.199; 90
3629.8Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay
Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.
Organic & biomolecular chemistry, 2018, 16, 963-980
7156073 CIFC21 H18 F3 N3 O4P n m a14.9764; 6.8786; 19.4161
90; 90; 90
2000.18Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin
Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.
Organic & biomolecular chemistry, 2018, 16, 1252-1257
7156074 CIFC13 H13 F3 N2 OP b c a15.5438; 7.15478; 23.2224
90; 90; 90
2582.62Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin
Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.
Organic & biomolecular chemistry, 2018, 16, 1252-1257
7156075 CIFC37 H35 Cl N2 O8P 1 21/c 115.05; 15.9438; 15.0274
90; 113.382; 90
3309.8Ren, Hong-Xia; Peng, Lin; Song, Xiang-Jia; Liao, Li-Guo; Zou, Ying; Tian, Fang; Wang, Li-Xin
Effective and diastereoselective preparation of dispiro[cyclopent-3'-ene]bisoxindoles via novel [3 + 2] annulation of isoindigos and MBH carbonates.
Organic & biomolecular chemistry, 2018, 16, 1297-1304
7156076 CIFC20 H13 Cl N2 OP 21 21 216.3278; 13.3923; 18.8088
90; 90; 90
1593.9Kour, Dilpreet; Gupta, Annah; Kapoor, Kamal K.; Gupta, Vivek K.; Rajnikant, ?; Singh, Deepika; Das, Parthasarathi
Iodine-NH<sub>4</sub>OAc mediated regioselective synthesis of 2-aroyl-3-arylimidazo[1,2-a]pyridines from 1,3-diaryl-prop-2-en-1-ones.
Organic & biomolecular chemistry, 2018, 16, 1330-1336
7156077 CIFC12 H16 N2 O8 SP 41 21 28.791; 8.791; 38.3254
90; 90; 90
2961.85Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper
Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.
Organic & biomolecular chemistry, 2018, 16, 1312-1321
7156078 CIFC12 H16 N2 O8 SP 19.0606; 10.3676; 16.4849
82.4953; 85.481; 74.878
1480.49Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper
Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.
Organic & biomolecular chemistry, 2018, 16, 1312-1321
7156079 CIFC13 H16 N2 O5P 1 21 15.9509; 7.1789; 16.121
90; 90.821; 90
688.6Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.
PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).
Organic & biomolecular chemistry, 2018, 16, 1126-1133
7156080 CIFC13 H16 N2 O5P 1 21 15.9238; 7.1787; 16.1585
90; 90.8223; 90
687.07Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.
PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).
Organic & biomolecular chemistry, 2018, 16, 1126-1133
7156081 CIFC24 H32 N4 O2P 21 21 218.83; 14.378; 17.669
90; 90; 90
2243.2Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia
Water soluble hydrophobic peptoids via a minor backbone modification.
Organic & biomolecular chemistry, 2018, 16, 1480-1488
7156082 CIFC13 H10 F3 N O3P b c a11.243; 30.552; 7.3019
90; 90; 90
2508.2Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang
Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.
Organic & biomolecular chemistry, 2018, 16, 1375-1380
7156083 CIFC12 H7 F3 N2 OP 1 2/c 114.0956; 11.3444; 19.9859
90; 134.705; 90
2271.42Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang
Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.
Organic & biomolecular chemistry, 2018, 16, 1375-1380
7156084 CIFC26 H19 Cl F3 N3P 1 21 111.476; 10.3255; 12.5157
90; 95.523; 90
1476.2Rahman, Abdul; Xie, En; Lin, Xufeng
Organocatalytic asymmetric synthesis of benzazepinoindole derivatives with trifluoromethylated quaternary stereocenters by chiral phosphoric acid catalysts.
Organic & biomolecular chemistry, 2018, 16, 1367-1374
7156085 CIFC16 H20 O4P -17.424; 8.7348; 10.9347
87.855; 80.444; 88.215
698.53Peter, Clovis; Geoffroy, Philippe; Miesch, Michel
Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.
Organic & biomolecular chemistry, 2018, 16, 1381-1389
7156086 CIFC16 H20 O4P 1 21/c 110.4839; 13.1593; 21.3419
90; 103.329; 90
2865Peter, Clovis; Geoffroy, Philippe; Miesch, Michel
Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.
Organic & biomolecular chemistry, 2018, 16, 1381-1389
7156087 CIFC16 H10 Cl F N2 OP -17.6576; 10.1949; 10.3237
115.042; 92.445; 108.132
679.55Zhang, Yingchao; Wen, Chunxia; Li, Jizhen
C5-Regioselective C-H fluorination of 8-aminoquinoline amides and sulfonamides with Selectfluor under metal-free conditions.
Organic & biomolecular chemistry, 2018, 16, 1912-1920
7156088 CIFC32 H28 N2 O2P 1 21/n 113.672; 17.459; 23.66
90; 92.451; 90
5642Wan, Ying; Wang, Hai-Qing; Xu, Meng-Meng; Mei, Guang-Jian; Shi, Feng
Direct C3-arylations of 2-indolylmethanols with tryptamines and tryptophols via an umpolung strategy.
Organic & biomolecular chemistry, 2018, 16, 1536-1542

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