Crystallography Open Database

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7151708 CIFC12 H13 N O4P 1 21 15.654; 7.4586; 13.1
90; 99.649; 90
544.62Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou
Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.
Organic & biomolecular chemistry, 2011, 9, 382-386
7151709 CIFC12 H12 Br N O4P 21 21 216.8992; 6.9979; 24.978
90; 90; 90
1205.9Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou
Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.
Organic & biomolecular chemistry, 2011, 9, 382-386
7151710 CIFC13 H15 N O6P 1 21 15.331; 7.848; 14.735
90; 95.877; 90
613.2Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou
Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.
Organic & biomolecular chemistry, 2011, 9, 382-386
7151711 CIFC27 H26 Cl N3 O2P -19.7651; 11.2401; 11.3429
76.03; 81.135; 73.662
1154.42He, Ping; Nie, Yi-Bo; Wu, Jing; Ding, Ming-Wu
Unexpected synthesis of indolo[1,2-c]quinazolines by a sequential Ugi 4CC-Staudinger-aza-Wittig-nucleophilic addition reaction.
Organic & biomolecular chemistry, 2011, 9, 1429-1436
7151712 CIFC25 H25 N O2P 1 21/c 19.4053; 9.7021; 21.9587
90; 92.978; 90
2001.05Cheetham, Caroline A.; Massey, Richard S.; Pira, Silvain L.; Pritchard, Robin G.; Wallace, Timothy W.
Atroposelective formation of dibenz[c,e]azepines via intramolecular direct arylation with centre-axis chirality transfer.
Organic & biomolecular chemistry, 2011, 9, 1831-1838
7151713 CIFC16 H18 N2 O2P 1 21/c 113.333; 10.094; 11.308
90; 109.94; 90
1430.6Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.
Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.
Organic & biomolecular chemistry, 2011, 9, 1887-1900
7151714 CIFC24 H22 N7P -16.6455; 12.928; 12.943
101.997; 90.461; 94.532
1083.94Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.
Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.
Organic & biomolecular chemistry, 2011, 9, 1887-1900
7151715 CIFC20 H32 N4P 1 c 134.582; 10.1577; 8.339
90; 92.891; 90
2925.5Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.
Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.
Organic & biomolecular chemistry, 2011, 9, 1887-1900
7151716 CIFC24 H22 N5P 1 21/c 110.247; 11.52; 34.634
90; 102.208; 90
3996Pozharskii, Alexander F.; Povalyakhina, Maria A.; Degtyarev, Alexander V.; Ryabtsova, Oxana V.; Ozeryanskii, Valery A.; Dyablo, Olga V.; Tkachuk, Anna V.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.
Naphthalene proton sponges as hydride donors: diverse appearances of the tert-amino-effect.
Organic & biomolecular chemistry, 2011, 9, 1887-1900
7151717 CIFC17 H9 I O3P 1 21/c 112.173; 14.445; 8.223
90; 103.46; 90
1406.2Raffa, Guillaume; Belot, Sébastien; Balme, Geneviève; Monteiro, Nuno
Iodocyclization versus diiodination in the reaction of 3-alkynyl-4-methoxycoumarins with iodine: Synthesis of 3-iodofuro[2,3-b]chromones.
Organic & biomolecular chemistry, 2011, 9, 1474-1478
7151718 CIFC18 H12 I2 O3P 1 21/c 118.6185; 14.0017; 14.1965
90; 107.82; 90
3523.34Raffa, Guillaume; Belot, Sébastien; Balme, Geneviève; Monteiro, Nuno
Iodocyclization versus diiodination in the reaction of 3-alkynyl-4-methoxycoumarins with iodine: Synthesis of 3-iodofuro[2,3-b]chromones.
Organic & biomolecular chemistry, 2011, 9, 1474-1478
7151719 CIFC25 H21 Cl N2 O3P 21 21 2110.27; 11.202; 18.897
90; 90; 90
2174Liu, Tang-Lin; Xue, Zhi-Yong; Tao, Hai-Yan; Wang, Chun-Jiang
Catalytic asymmetric 1,3-dipolar cycloaddition of N-unprotected 2-oxoindolin-3-ylidene derivatives and azomethine ylides for the construction of spirooxindole-pyrrolidines.
Organic & biomolecular chemistry, 2011, 9, 1980-1986
7151720 CIFC16 H9 F10 N5 OP 1 21/n 116.012; 11.932; 19.682
90; 104.571; 90
3639Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut
Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.
Organic & biomolecular chemistry, 2011, 9, 1972-1979
7151721 CIFC37 H31 N5 O4P b c a14.5032; 9.6882; 44.522
90; 90; 90
6255.8Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut
Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.
Organic & biomolecular chemistry, 2011, 9, 1972-1979
7151722 CIFC36 H22 F10 N5 O6P 1 21/m 16.8654; 34.567; 7.138
90; 98.565; 90
1675.1Bose, Purnandhu; Ahamed, B. Nisar; Ghosh, Pradyut
Functionalized guanidinium chloride based colourimetric sensors for fluoride and acetate: single crystal X-ray structural evidence of -NH deprotonation and complexation.
Organic & biomolecular chemistry, 2011, 9, 1972-1979
7151723 CIFC18 H14 OP 1 21/c 14.7615; 11.9406; 21.373
90; 93.296; 90
1213.2Böß, Esther; Hillringhaus, Tim; Nitsch, Jacqueline; Klussmann, Martin
Lewis acid-catalysed one pot synthesis of substituted xanthenes.
Organic & biomolecular chemistry, 2011, 9, 1744-1748
7151724 CIFC16 H16 O2P -17.3745; 8.763; 10.395
99.79; 110.27; 98.47
605.3Böß, Esther; Hillringhaus, Tim; Nitsch, Jacqueline; Klussmann, Martin
Lewis acid-catalysed one pot synthesis of substituted xanthenes.
Organic & biomolecular chemistry, 2011, 9, 1744-1748
7151725 CIFC20 H16 SiP 21 21 218.3831; 11.7677; 15.012
90; 90; 90
1480.9Tanikawa, Tomoharu; Saito, Masaichi; Guo, Jing Dong; Nagase, Shigeru
Synthesis, structures and optical properties of trisilasumanene and its related compounds.
Organic & biomolecular chemistry, 2011, 9, 1731-1735
7151726 CIFC8 H13 N O3P 1 21 16.0046; 6.104; 12.099
90; 103.144; 90
431.84Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain
Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.
Organic & biomolecular chemistry, 2011, 9, 1901-1907
7151727 CIFC30 H30 Br2 N2 O4P 21 21 219.5861; 14.757; 19.402
90; 90; 90
2744.6Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain
Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.
Organic & biomolecular chemistry, 2011, 9, 1901-1907
7151728 CIFC37 H52 Cl N O11P 1 21 19.772; 17.25; 11.937
90; 97.6; 90
1994.5Yu, Jipan; Miao, Zhiwei; Chen, Ruyu
Highly efficient asymmetric vinylogous Mannich reaction induced by O-pivaloylated d-galactosylamine as the chiral auxiliary.
Organic & biomolecular chemistry, 2011, 9, 1756-1762
7151729 CIFC32 H18 N4P b c a7.5239; 13.8384; 22.5279
90; 90; 90
2345.6Lin, Yi-Chun; Lin, Chih-Hsiu; Chen, Chan-Yu; Sun, Shih-Sheng; Pal, Bikash
Synthesis of electron deficient acene derivatives via a bidirectional iterative elongation reaction
Organic & Biomolecular Chemistry, 2011, 9, 4507
7151730 CIFC8 H11 Cl3 I N O2P 1 21 18.0678; 16.6957; 9.6537
90; 99.437; 90
1282.73Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew
Stereoselective synthesis of polyhydroxylated aminocyclohexanes.
Organic & biomolecular chemistry, 2011, 9, 2801-2808
7151731 CIFC8 H12 Cl3 N O4C 1 2 139.705; 5.8312; 20.2162
90; 91.296; 90
4679.4Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew
Stereoselective synthesis of polyhydroxylated aminocyclohexanes.
Organic & biomolecular chemistry, 2011, 9, 2801-2808
7151732 CIFC34 H30 N2 OP -19.4283; 10.252; 14.872
77.695; 79.25; 71.711
1322.4He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.
Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.
Organic & biomolecular chemistry, 2011, 9, 2685-2701
7151733 CIFC24 H26 N4 O3 SP c a 2110.5806; 10.1271; 40.3707
90; 90; 90
4325.8He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.
Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.
Organic & biomolecular chemistry, 2011, 9, 2685-2701
7151734 CIFC30 H35 Cl2 N7 O5 S2P 1 21/n 116.9209; 10.9678; 19.3539
90; 114.309; 90
3273.3He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J.
Intramolecular Diels-Alder chemistry of 4-vinylimidazoles.
Organic & biomolecular chemistry, 2011, 9, 2685-2701
7151735 CIFC11 H10 O3P 1 21/c 18.3372; 10.931; 9.7141
90; 94.165; 90
882.95Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne
Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.
Organic & biomolecular chemistry, 2011, 9, 2286-2293
7151736 CIFC17 H14 O6P -16.8264; 8.0831; 12.8838
91.219; 96.917; 94.85
702.85Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne
Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.
Organic & biomolecular chemistry, 2011, 9, 2286-2293
7151737 CIFC17 H14 O6P 1 c 18.1223; 7.04; 13.0388
90; 107.502; 90
711.06Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne
Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.
Organic & biomolecular chemistry, 2011, 9, 2286-2293
7151738 CIFC17 H14 O6P 1 21/c 16.6845; 7.9964; 26.937
90; 94.935; 90
1434.5Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne
Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds.
Organic & biomolecular chemistry, 2011, 9, 2286-2293
7151739 CIFC24 H23 Br N2 O6P 1 21/n 18.558; 15.813; 16.673
90; 98.473; 90
2231.7Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying
The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.
Organic & biomolecular chemistry, 2011, 9, 2166-2174
7151740 CIFC24 H23 Br N2 O6P -429.508; 29.508; 12.139
90; 90; 90
10569.7Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying
The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.
Organic & biomolecular chemistry, 2011, 9, 2166-2174
7151741 CIFC24 H23 Br N2 O6P -17.9953; 12.083; 13.275
65.855; 88.718; 84.251
1164.1Pan, Huan-Rui; Wang, Xiao-Rong; Yan, Cai-Xia; Sun, Zhong-Xin; Cheng, Ying
The multicomponent reaction of imidazo[1,5-a]pyridine carbenes with phthalaldehydes and dimethyl acetylenedicarboxylate: a facile construction of benzo[d]furo[3,2-b]azepines.
Organic & biomolecular chemistry, 2011, 9, 2166-2174
7151742 CIFC14 H16 O4P 21 21 215.4822; 8.8469; 24.9538
90; 90; 90
1210.27Nesbitt, Caroline L.; McErlean, Christopher S. P.
Total synthesis of C19 lipid diols containing a 2,5-disubstituted-3-oxygenated tetrahydrofuran.
Organic & biomolecular chemistry, 2011, 9, 2198-2208
7151743 CIFC27 H22 Br N O4P 1 21 15.4962; 14.702; 14.657
90; 100.037; 90
1166.2Li, Wenjun; Wu, Wenbin; Yu, Feng; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing
Catalytic asymmetric Michael addition with curcumin derivative.
Organic & biomolecular chemistry, 2011, 9, 2505-2511
7151744 CIFC4 H9 Cl O2 SP 1 21/n 17.0225; 7.3868; 13.8536
90; 100.912; 90
705.65Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J
Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2).
Organic & biomolecular chemistry, 2011, 9, 2751-2759
7151745 CIFC11 H13 N3 O9 SP -17.3627; 9.589; 11.7822
69.895; 73.702; 79.988
746.99Yoo, Ellie Jung-Hwa; Feketeová, Linda; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J
Structure and unimolecular chemistry of protonated sulfur betaines, (CH3)2S(+)(CH2)(n)CO2H (n = 1 and 2).
Organic & biomolecular chemistry, 2011, 9, 2751-2759
7151746 CIFC24 H17 N2 O3P n a 2116.927; 12.667; 18.063
90; 90; 90
3873Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi
Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.
Organic & biomolecular chemistry, 2011, 9, 2702-2714
7151747 CIFC16 H12 N2 OP 1 21/c 112.294; 4.9467; 20.381
90; 101.322; 90
1215.3Qi, Hengzhen; Li, Xinyao; Xu, Jiaxi
Stereoselective control in the Staudinger reactions involving monosubstituted ketenes with electron acceptor substituents: experimental investigation and theoretical rationalization.
Organic & biomolecular chemistry, 2011, 9, 2702-2714
7151748 CIFC11 H5 F4 N OI 41 c d13.0912; 13.0912; 23.1759
90; 90; 90
3971.9Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.
Organic & biomolecular chemistry, 2011, 9, 2294-2305
7151749 CIFC26.5 H16 Br3 F2 N S3P -17.0016; 10.9436; 17.466
92.675; 99.643; 90.003
1317.9Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.
Organic & biomolecular chemistry, 2011, 9, 2294-2305
7151750 CIFC11 H4 F3 N SP -17.223; 7.9584; 9.1866
100.979; 97.143; 113.863
462.01Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.
Organic & biomolecular chemistry, 2011, 9, 2294-2305
7151751 CIFC18 H8 F2 O2P 1 21/n 16.198; 6.525; 15.416
90; 97.211; 90
618.5Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.
Organic & biomolecular chemistry, 2011, 9, 2294-2305
7151752 CIFC18 H8 Br F3 S2P 1 21/c 19.8845; 15.668; 10.3729
90; 92.2845; 90
1605.18Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.
Organic & biomolecular chemistry, 2011, 9, 2294-2305
7151753 CIFC18 H8 Br F3 S2P 1 21/c 115.1514; 12.9717; 8.1916
90; 103.522; 90
1565.34Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.
Organic & biomolecular chemistry, 2011, 9, 2294-2305
7151754 CIFC18 H8 F2 S2P 1 21/c 17.823; 3.911; 21.623
90; 92.499; 90
660.9Ponce González, Julia; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.
Synthesis of fluorinated fused benzofurans and benzothiophenes: Smiles-type rearrangement and cyclisation of perfluoro(het)aryl ethers and sulfides.
Organic & biomolecular chemistry, 2011, 9, 2294-2305
7151755 CIFC14 H18 N2 O4 SP -15.6949; 9.6545; 13.611
73.2; 83.98; 80.88
706Kissane, Marie; Murphy, Maureen; O'Brien, Elisabeth; Chopra, Jay; Murphy, Linda; Collins, Stuart G.; Lawrence, Simon E.; Maguire, Anita R.
Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles.
Organic & biomolecular chemistry, 2011, 9, 2452-2472
7151756 CIFC20 H25 N O4 SP 21 21 215.3188; 12.594; 29.209
90; 90; 90
1956.6Kissane, Marie; Murphy, Maureen; O'Brien, Elisabeth; Chopra, Jay; Murphy, Linda; Collins, Stuart G.; Lawrence, Simon E.; Maguire, Anita R.
Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles.
Organic & biomolecular chemistry, 2011, 9, 2452-2472
7151757 CIFC9 H14 N2 O2 SeP n a 218.37; 11; 12.192
90; 90; 90
1122.5Hodage, Ananda S.; Phadnis, Prasad P.; Wadawale, Amey; Priyadarsini, K. I.; Jain, Vimal K.
Synthesis, characterization and structures of 2-(3,5-dimethylpyrazol-1-yl)ethylseleno derivatives and their probable glutathione peroxidase (GPx) like activity.
Organic & biomolecular chemistry, 2011, 9, 2992-2998

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