Crystallography Open Database

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7151858 CIFC31 H23 Cl N2 O2P 1 21/n 110.6905; 7.6706; 29.1159
90; 90.142; 90
2387.57Khlebnikov, Alexander F.; Novikov, Mikhail S.; Golovkina, Maria V.; Petrovskii, Petr P.; Konev, Alexander S.; Yufit, Dmitry S.; Stoeckli-Evans, Helen
An efficient approach to azirino and pyrrolo-fused dibenzazepines. Conformations of substituted dibenzo[c,f]pyrrolo[1,2-a]azepines.
Organic & biomolecular chemistry, 2011, 9, 3886-3895
7151859 CIFC20 H21 N O4P 1 21/n 110.1977; 16.971; 11.0473
90; 113.378; 90
1754.9Sun, Fang-gang; Ye, Song
N-heterocyclic carbene-catalyzed [4 + 1] annulation of phthalaldehyde and imines.
Organic & biomolecular chemistry, 2011, 9, 3632-3635
7151860 CIFC13 H16 O4P 21 21 215.9224; 11.4859; 17.6998
90; 90; 90
1204.01Macabeo, Allan Patrick G.; Kreuzer, Andreas; Reiser, Oliver
Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids.
Organic & biomolecular chemistry, 2011, 9, 3146-3150
7151861 CIFC13 H20 O7P 1 21 17.8226; 10.0497; 9.1628
90; 102.925; 90
702.08Macabeo, Allan Patrick G.; Kreuzer, Andreas; Reiser, Oliver
Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids.
Organic & biomolecular chemistry, 2011, 9, 3146-3150
7151862 CIFC12 H15 N O2P 1 21/c 110.838; 7.683; 12.432
90; 97.66; 90
1025.95Bourcet, Emmanuel; Bröhmer, Manuel C; Nieger, Martin; Bräse, Stefan
Synthetic studies towards marmycins A and B: development of the vinylogous aldol-aza-Michael domino reaction.
Organic & biomolecular chemistry, 2011, 9, 3136-3138
7151863 CIFC13 H17 N O2P 1 21/c 17.5344; 22.298; 7.2117
90; 114.172; 90
1105.35Bourcet, Emmanuel; Bröhmer, Manuel C; Nieger, Martin; Bräse, Stefan
Synthetic studies towards marmycins A and B: development of the vinylogous aldol-aza-Michael domino reaction.
Organic & biomolecular chemistry, 2011, 9, 3136-3138
7151864 CIFC14 H13 Br Fe O7P 21 21 218.6252; 8.6773; 43.7286
90; 90; 90
3272.8Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.
Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.
Organic & biomolecular chemistry, 2011, 9, 3920-3928
7151865 CIFC19 H18 Br N3 O6P 6527.8075; 27.8075; 6.4708
90; 90; 120
4333.24Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.
Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.
Organic & biomolecular chemistry, 2011, 9, 3920-3928
7151866 CIFC15 H19 F3 N2 O3 SP -19.1431; 9.1984; 21.398
98.89; 92.687; 95.661
1765.8Zhang, Fan; Liu, Zhen-Jiang; Liu, Jin-Tao
Asymmetric aza-Henry reaction of chiral fluoroalkyl α,β-unsaturated N-tert-butanesulfinyl ketoimines: an efficient approach to enantiopure fluoroalkylated α,β-diamines and α,β-diamino acids.
Organic & biomolecular chemistry, 2011, 9, 3625-3628
7151867 CIFC16 H18 N2 O6F d d 228.269; 30.785; 7.2402
90; 90; 90
6300.9Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan
Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.
Organic & biomolecular chemistry, 2011, 9, 3629-3631
7151868 CIFC16 H16 N2 O5P 1 21/c 19.2295; 11.037; 17.1487
90; 121.994; 90
1481.53Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan
Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.
Organic & biomolecular chemistry, 2011, 9, 3629-3631
7151869 CIFC16 H18 N2 O6C 1 c 130.1583; 13.3236; 16.1956
90; 107.909; 90
6192.35Huang, Chengmei; Yu, Haitao; Miao, Zhengrui; Zhou, Jie; Wang, Shuai; Fun, Hoong-Kun; Xu, Jianhua; Zhang, Yan
Facile synthesis of spiroisoquinolines based on photocycloaddition of isoquinoline-1,3,4-trione with oxazoles.
Organic & biomolecular chemistry, 2011, 9, 3629-3631
7151870 CIFC31 H33 Cl N2 O2 Ru SP 21 21 218.39707; 9.14896; 35.0858
90; 90; 90
2695.45Soni, Rina; Cheung, Fung Kei; Clarkson, Guy C.; Martins, Jose E. D.; Graham, Mark A.; Wills, Martin
The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines.
Organic & biomolecular chemistry, 2011, 9, 3290-3294
7151871 CIFC31 H37 Cl N2 O3 Ru SP 110.3603; 11.0519; 14.0747
90.6376; 103.528; 107.614
1487.55Soni, Rina; Cheung, Fung Kei; Clarkson, Guy C.; Martins, Jose E. D.; Graham, Mark A.; Wills, Martin
The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines.
Organic & biomolecular chemistry, 2011, 9, 3290-3294
7151872 CIFC24 H28 N OC 1 2/c 121.472; 7.807; 25.852
90; 115.95; 90
3897Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN
Organic & Biomolecular Chemistry, 2011, 9, 4642
7151873 CIFC21 H24 Cl N OC 1 2 119.532; 5.3933; 16.414
90; 90.279; 90
1729.1Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN
Organic & Biomolecular Chemistry, 2011, 9, 4642
7151874 CIFC22 H22 N2 OR -3 :H26.535; 26.535; 13.671
90; 90; 120
8336.2Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN
Organic & Biomolecular Chemistry, 2011, 9, 4642
7151875 CIFC22 H22 N2 OP 21 21 216.2211; 14.25; 19.7004
90; 90; 90
1746.45Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN
Organic & Biomolecular Chemistry, 2011, 9, 4642
7151876 CIFC31 H24 Cl F3 N2 O3 SP -18.101; 11.081; 16.926
100.23; 99.2; 104.73
1412.1Chaitanya, T. Krishna; Nagarajan, Rajagopal
Synthesis of functionalized ellipticinium and ellipticine derivatives via electrophilic cyclization
Organic & Biomolecular Chemistry, 2011, 9, 4662
7151877 CIFC33 H29 F3 N2 O3 SP n a 218.1925; 16.7763; 21.6041
90; 90; 90
2969.3Chaitanya, T. Krishna; Nagarajan, Rajagopal
Synthesis of functionalized ellipticinium and ellipticine derivatives via electrophilic cyclization
Organic & Biomolecular Chemistry, 2011, 9, 4662
7151878 CIFC8 H7 N3C 1 2/c 118.2414; 5.4302; 14.7271
90; 105.429; 90
1406.21Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151879 CIFC7 H4 I2 N2 SP 1 21/n 17.051; 20.8154; 7.2666
90; 100.688; 90
1048.01Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151880 CIFC8 H5 I2 N3P 1 21/n 16.8316; 13.4938; 12.1649
90; 101.594; 90
1098.53Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151881 CIFC8 H6 I N3P 1 21/c 17.1532; 14.745; 8.1035
90; 91.883; 90
854.25Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151882 CIFC8 H5 I2 N3P 1 21/c 17.1322; 10.9173; 13.3983
90; 99.759; 90
1028.15Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151883 CIFC8 H3 Cl I3 N3P 1 21/n 111.8807; 7.3931; 14.398
90; 92.696; 90
1263.25Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151884 CIFC11 H12 I N3P 1 21/n 17.3777; 19.1576; 8.7098
90; 111.017; 90
1149.14Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151885 CIFC11 H11 I2 N3P 1 21/n 16.9744; 26.4537; 7.2619
90; 90.717; 90
1339.71Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151886 CIFC12 H8 I2 N4P n a b8.3852; 10.209; 16.0643
90; 90; 90
1375.18Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151887 CIFC17 H17 N3P 1 21/c 16.3843; 30.629; 7.1492
90; 94.735; 90
1393.22Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151888 CIFC8 H7 N3P 1 21/a 111.299; 4.2309; 14.743
90; 90.229; 90
704.8Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151889 CIFC12 H10 N4P 1 21/c 17.745; 12.472; 10.787
90; 92.06; 90
1041.3Chevallier, Floris; Halauko, Yury S.; Pecceu, Christelle; Nassar, Ibrahim F.; Dam, To Uyen; Roisnel, Thierry; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence
N-aryl pyrazoles: DFT calculations of CH acidity and deprotonative metallation using a combination of lithium and zinc amides
Organic & Biomolecular Chemistry, 2011, 9, 4671
7151890 CIFC205 H292 N16 O P12 Pt6P -121.913; 23.156; 23.85
93.385; 108.751; 95.706
11349Harano, Aya; Tanaka, Minako; Nakagaki, Takeshi; Annaka, Masahiko; Ideta, Keiko; Goto, Kenta; Shinmyozu, Teruo
Changing the volume of a giant macrocycle: the swelling of the macrocycle with organic solvents.
Organic & biomolecular chemistry, 2011, 9, 3611-3614
7151891 CIFC40 H36 Br N O7P 21 21 2113.323; 15.987; 17.448
90; 90; 90
3716.3Xue, Zhi-Yong; Fang, Xin; Wang, Chun-Jiang
Asymmetric construction of 3-vinylidene-pyrrolidine derivatives containing allene moiety via Ag(I)/TF-BiphamPhos-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with diethyl 2-(3,3-diphenylpropa-1,2-dienylidene) malonate.
Organic & biomolecular chemistry, 2011, 9, 3622-3624
7151892 CIFC39 H38 N4 O5P 1 21/n 115.475; 12.2; 18.441
90; 107.63; 90
3318Liu, Wei-Yong; Li, Hai-Ying; Zhao, Bao-Xiang; Miao, Jun-Ying
Synthesis, crystal structure and living cell imaging of a Cu2±specific molecular probe
Organic & Biomolecular Chemistry, 2011, 9, 4802
7151893 CIFC25 H31 Br O3P 21 21 2110.3869; 13.1736; 15.8519
90; 90; 90
2169.1Stastna, Eva; Rath, Nigam P.; Covey, Douglas F.
The use of symmetry in enantioselective synthesis: Four pairs of chrysene enantiomers prepared from 19-nortestosterone
Organic & Biomolecular Chemistry, 2011, 9, 4685
7151894 CIFC22 H17 Br O6P 17.9684; 10.9755; 12.0108
72.528; 72.231; 83.35
953.8Gao, Yaojun; Ren, Qiao; Ang, Swee-Meng; Wang, Jian
Enantioselective organocatalytic Michael-hemiketalization catalyzed by a trans-bifunctional indane thiourea catalyst.
Organic & biomolecular chemistry, 2011, 9, 3691-3697
7151895 CIFC17 H20 O4P -16.246; 10.219; 12.572
110.08; 93.86; 95.48
745.9Merritt, Andrew T.; Pouwer, Rebecca H.; Williams, David J.; Williams, Craig M.; Ley, Steven V.
The clerodane ring system: investigating the viability of a direct Diels–Alder approach
Organic & Biomolecular Chemistry, 2011, 9, 4745
7151896 CIFC16 H25 N O SiP 1 21/c 111.914; 11.74; 12.726
90; 106.442; 90
1707.2Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan
Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application
Organic & Biomolecular Chemistry, 2011, 9, 4778
7151897 CIFC16 H27 N O SiP 1 21/c 110.5629; 12.6906; 12.5122
90; 100.65; 90
1648.4Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan
Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application
Organic & Biomolecular Chemistry, 2011, 9, 4778
7151898 CIFC14 H21 N O SiP 1 21/c 117.6183; 6.826; 25.7319
90; 109.769; 90
2912.2Chin, Chih-Lung; Liao, Cheng-Feng; Liu, Hsing-Jang; Wong, Ying-Chieh; Hsieh, Ming-Tsang; Amancha, Prashanth K.; Chang, Chun-Ping; Shia, Kak-Shan
Conia-ene annulation of the α-cyano β-TMS-capped alkynyl cycloalkanone system and its synthetic application
Organic & Biomolecular Chemistry, 2011, 9, 4778
7151899 CIFC20 H28 O7P 1 21 16.526; 11.83; 12.312
90; 104.267; 90
921.2Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun
Synthesis and revision of stereochemistry of rubescensin S
Organic & Biomolecular Chemistry, 2011, 9, 4436
7151900 CIFC22 H32 O8C 1 2 126.995; 6.0828; 14.322
90; 117.723; 90
2081.8Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun
Synthesis and revision of stereochemistry of rubescensin S
Organic & Biomolecular Chemistry, 2011, 9, 4436
7151901 CIFC19.5 H28 O8.5P 21 21 219.6172; 14.543; 27.025
90; 90; 90
3779.8Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun
Synthesis and revision of stereochemistry of rubescensin S
Organic & Biomolecular Chemistry, 2011, 9, 4436
7151902 CIFC20 H28 O7P 1 21 110.3751; 7.7786; 11.4085
90; 99.955; 90
906.85Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun
Synthesis and revision of stereochemistry of rubescensin S
Organic & Biomolecular Chemistry, 2011, 9, 4436
7151903 CIFC20 H23 N O3P 1 21 14.942; 11.622; 15.783
90; 93.573; 90
904.7Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.
A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.
Organic & biomolecular chemistry, 2011, 9, 4182-4187
7151904 CIFC19 H36 Cl3 N3 O5P 21 21 2110.578; 11.206; 23.306
90; 90; 90
2762.6Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.
A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.
Organic & biomolecular chemistry, 2011, 9, 4182-4187
7151905 CIFC13 H26 N2 O4P 21 21 219.704; 13.077; 25.661
90; 90; 90
3256.4Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.
A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.
Organic & biomolecular chemistry, 2011, 9, 4182-4187
7151906 CIFC16 H20 N2 O4 SeP -16.967; 10.517; 11.826
87.388; 73.485; 85.092
827.5Bhabak, Krishna P.; Vernekar, Amit A.; Jakka, Surendar R.; Roy, Gouriprasanna; Mugesh, Govindasamy
Mechanistic investigations on the efficient catalytic decomposition of peroxynitrite by ebselen analogues.
Organic & biomolecular chemistry, 2011, 9, 5193-5200
7151907 CIFC16 H19 N5C 1 2/c 19.0838; 24.279; 14.5751
90; 102.451; 90
3138.9Jiang, Bo; Wang, Xiang; Shi, Feng; Tu, Shu-Jiang; Li, Guigen
New multicomponent cyclization: domino synthesis of pentasubstituted pyridines under solvent-free conditions.
Organic & biomolecular chemistry, 2011, 9, 4025-4028

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