Crystallography Open Database

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7150411 CIFC60 H64 F12 N6 O7 P2C 1 c 19.8279; 30.0349; 20.0581
90; 99.28; 90
5843.3Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.
Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.
Organic & biomolecular chemistry, 2006, 4, 781-786
7150412 CIFC41 H50 Br3 Cl6 N3 O6P 1 21/n 110.8286; 18.3316; 24.2103
90; 100.766; 90
4721.3Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.
Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.
Organic & biomolecular chemistry, 2006, 4, 781-786
7150413 CIFC48 H60 Br3 N6 O4.5P -110.6106; 12.4052; 20.5253
82.503; 78.979; 72.937
2527.14Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.
Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.
Organic & biomolecular chemistry, 2006, 4, 781-786
7150414 CIFC23 H31 N3 O3P 1 21/n 116.07; 8.501; 17
90; 104.48; 90
2249Matsuhira, Takashi; Yamamoto, Hitoshi; Onoda, Akira; Okamura, Taka-Aki; Ueyama, Norikazu
Photoinduced switching of intramolecular hydrogen bond between amide NH and carboxyl oxygen.
Organic & biomolecular chemistry, 2006, 4, 1338-1342
7150415 CIFC10 H20 N2 O3P 15.104; 9.469; 13.78
80.141; 86.042; 89.932
654.5Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan
Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.
Organic & biomolecular chemistry, 2006, 4, 1166-1173
7150416 CIFC12 H24 N2 O3P 21 21 218.73; 9.741; 17.509
90; 90; 90
1488.9Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan
Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.
Organic & biomolecular chemistry, 2006, 4, 1166-1173
7150417 CIFC16 H24 N2 O3C 1 2 120.536; 5.165; 16.872
90; 109.824; 90
1683.5Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan
Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.
Organic & biomolecular chemistry, 2006, 4, 1166-1173
7150418 CIFC18 H34 N2 O5P 21 21 219.3852; 11.899; 19.199
90; 90; 90
2144Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan
Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.
Organic & biomolecular chemistry, 2006, 4, 1166-1173
7150419 CIFC18 H34 N2 O5P 21 21 215.17; 10.86; 37.3
90; 90; 90
2094Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan
Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.
Organic & biomolecular chemistry, 2006, 4, 1166-1173
7150420 CIFC11 H19 N O4P 15.989; 6.651; 8.661
70.749; 77.415; 86.976
317.81Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan
Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.
Organic & biomolecular chemistry, 2006, 4, 1166-1173
7150421 CIFC10 H12 N4 OP n a 217.942; 13.862; 8.4623
90; 90; 90
931.6Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.
The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.
Organic & biomolecular chemistry, 2006, 4, 1723-1729
7150422 CIFC10 H12 N4 SP 1 21/c 17.8532; 12.4259; 11.0895
90; 108.807; 90
1024.4Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.
The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.
Organic & biomolecular chemistry, 2006, 4, 1723-1729
7150423 CIFC9 H12 N4 O SP 1 21/c 18.6545; 15.734; 7.7979
90; 96.473; 90
1055.1Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.
The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.
Organic & biomolecular chemistry, 2006, 4, 1723-1729
7150424 CIFC22 H28 N4 O SiP 21 21 217.4112; 15.3453; 19.811
90; 90; 90
2253Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean
Facial selectivity in the 4 + 2 reactions of a diene derived from carvone
Organic & Biomolecular Chemistry, 2006, 4, 1160
7150425 CIFC22 H28 N4 O SiP 21 21 2117.488; 17.514; 7.601
90; 90; 90
2328.1Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean
Facial selectivity in the 4 + 2 reactions of a diene derived from carvone
Organic & Biomolecular Chemistry, 2006, 4, 1160
7150426 CIFC24 H33 N3 O3 SiP 1 21 18.087; 11.369; 14.0678
90; 104.498; 90
1252.2Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean
Facial selectivity in the 4 + 2 reactions of a diene derived from carvone
Organic & Biomolecular Chemistry, 2006, 4, 1160
7150427 CIFC15 H22 N2 O2P 1 21/c 114.365; 8.446; 12.304
90; 97.88; 90
1478.7Neumann, Helfried; Strübing, Dirk; Lalk, Michael; Klaus, Stefan; Hübner, Sandra; Spannenberg, Anke; Lindequist, Ulrike; Beller, Matthias
Synthesis and antimicrobial activity of N-analogous corollosporines.
Organic & biomolecular chemistry, 2006, 4, 1365-1375
7150428 CIFC17 H24 N2 O3P -18.917; 8.949; 10.953
96.61; 97.73; 99.99
844.3Neumann, Helfried; Strübing, Dirk; Lalk, Michael; Klaus, Stefan; Hübner, Sandra; Spannenberg, Anke; Lindequist, Ulrike; Beller, Matthias
Synthesis and antimicrobial activity of N-analogous corollosporines.
Organic & biomolecular chemistry, 2006, 4, 1365-1375
7150429 CIFC33 H28 F6 N2 O2 S2P 1 21 112.358; 14.623; 19.349
90; 106.678; 90
3349.5Uchida, Kingo; Walko, Martin; de Jong, Jaap J. D.; Sukata, Shin-ichiro; Kobatake, Seiya; Meetsma, Auke; van Esch, Jan; Feringa, Ben L.
Diastereoselective cyclization of a dithienylethene switch through single crystal confinement.
Organic & biomolecular chemistry, 2006, 4, 1002-1006
7150430 CIFC9 H13 N O3P 1 21/n 17.1187; 12.4355; 10.625
90; 105.545; 90
906.17Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu
The ammonia-free partial reduction of substituted pyridinium salts.
Organic & biomolecular chemistry, 2006, 4, 1071-1084
7150431 CIFC19 H23 N O4P 1 21/c 18.0683; 10.3413; 20.1216
90; 100.613; 90
1650.16Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu
The ammonia-free partial reduction of substituted pyridinium salts.
Organic & biomolecular chemistry, 2006, 4, 1071-1084
7150432 CIFC23 H25 F N2 O3P 21 21 2112.174; 21.549; 7.6755
90; 90; 90
2013.6Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.
Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.
Organic & biomolecular chemistry, 2006, 4, 1768-1784
7150433 CIFC19 H18 N2 O3P 1 21 17.884; 5.6159; 17.964
90; 90.753; 90
795.3Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.
Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.
Organic & biomolecular chemistry, 2006, 4, 1768-1784
7150434 CIFC11 H15 N O5P 21 21 216.0153; 12.4888; 15.2629
90; 90; 90
1146.61Li, Hongqing; Schütz, Catherine; Favre, Sylvain; Zhang, Yongmin; Vogel, Pierre; Sinaÿ, Pierre; Blériot, Yves
Nucleophilic opening of epoxyazepanes: expanding the family of polyhydroxyazepane-based glycosidase inhibitors.
Organic & biomolecular chemistry, 2006, 4, 1653-1662
7150435 CIFC39 H68 N O13.5C 1 2 128.764; 12.3834; 11.8736
90; 104.728; 90
4090.4Hassanzadeh, Addolreza; Helliwell, Madeleine; Barber, Jill
Determination of the stereochemistry of anhydroerythromycin A, the principal degradation product of the antibiotic erythromycin A.
Organic & biomolecular chemistry, 2006, 4, 1014-1019
7150436 CIFC22 H29 NP 21 21 219.807; 11.749; 16.027
90; 90; 90
1846.7Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted
Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.
Organic & biomolecular chemistry, 2006, 4, 1546-1554
7150437 CIFC22 H29 NP 21 21 219.884; 11.711; 16.091
90; 90; 90
1862.6Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted
Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.
Organic & biomolecular chemistry, 2006, 4, 1546-1554
7150438 CIFC28 H39 N O6 SiP 1 21 17.6412; 11.8424; 15.8245
90; 102.434; 90
1398.37Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.
Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.
Organic & biomolecular chemistry, 2006, 4, 1596-1603
7150439 CIFC12 H19 N3 O4P 21 21 215.6733; 11.538; 21.3149
90; 90; 90
1395.24Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.
Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.
Organic & biomolecular chemistry, 2006, 4, 1596-1603
7150440 CIFC14 H11 N O3P 1 21 13.82; 9.5681; 14.756
90; 93.579; 90
538.28Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau
Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.
Organic & biomolecular chemistry, 2006, 4, 1707-1722
7150441 CIFC14 H11 N O3P 1 21/n 112.191; 3.8876; 22.922
90; 90.223; 90
1086.4Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau
Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.
Organic & biomolecular chemistry, 2006, 4, 1707-1722
7150442 CIFC15 H14 N2 O2P 1 21/c 14.584; 11.1889; 24.2034
90; 90.953; 90
1241.22Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau
Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.
Organic & biomolecular chemistry, 2006, 4, 1707-1722
7150443 CIFC13 H9 N O SP 1 21 13.8693; 12.3848; 10.4698
90; 95.015; 90
499.8Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau
Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.
Organic & biomolecular chemistry, 2006, 4, 1707-1722
7150444 CIFC24 H38 N2 O3 S Si2P 111.2537; 13.9426; 28.9064
83.0511; 88.3274; 82.8675
4466.96Convertino, Vito; Manini, Peter; Schweizer, W. Bernd; Diederich, François
First asymmetric synthesis of a differentially silyl-protected tris(alkynyl)methyl methyl ether.
Organic & biomolecular chemistry, 2006, 4, 1206-1208
7150445 CIFC18 H15 Cl F2 O3 SP c a 2115.45; 10.49; 10.828
90; 90; 90
1755Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H
The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.
Organic & biomolecular chemistry, 2006, 4, 1806-1810
7150446 CIFC18 H17 Cl F2 O3 SP 1 21/c 16.9274; 8.4158; 29.301
90; 92.743; 90
1706.3Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H
The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.
Organic & biomolecular chemistry, 2006, 4, 1806-1810
7150447 CIFC60 H72 O4 S2P 1 21/c 117.511; 14.597; 22.804
90; 111.552; 90
5421Zeng, Xianshun; Sun, Hao; Chen, Langxing; Leng, Xuebing; Xu, Fengbo; Li, Qinshan; He, Xiwen; Zhang, Wenqin; Zhang, Zheng-Zhi
Synthesis of a tweezer-like bis(arylthiaalkoxy)calix[4]arene as a cation sensor for ion-selective electrodes: an investigation of the influence of neighboring halogen atoms on cation selectivity
Organic & Biomolecular Chemistry, 2003, 1, 1073-1079
7150448 CIFC6 F8P 1 21/c 18.134; 7.111; 12.699
90; 100.87; 90
721.34Lentz, Dieter; Patzschke, Mona; Bach, Ansgar; Scheins, Stephan; Luger, Peter
Experimental charge density of octafluoro-1,2-dimethylenecyclobutane: atomic volumes and charges in a perfluorinated hydrocarbon
Organic & Biomolecular Chemistry, 2003, 1, 409-414
7150449 CIFC27 H32 N2 O4 SP 1 21 111.1034; 11.9818; 9.9624
90; 109.214; 90
1251.6Miyabe, Hideto; Fujii, Kayoko; Naito, Takeaki
Radical addition to oxime ethers for asymmetric synthesis of β-amino acid derivatives
Organic & Biomolecular Chemistry, 2003, 1, 381
7150450 CIFC29 H38 N2 O4 SP 1 21 112.2395; 20.5642; 10.904
90; 94.209; 90
2737.1Miyabe, Hideto; Fujii, Kayoko; Naito, Takeaki
Radical addition to oxime ethers for asymmetric synthesis of β-amino acid derivatives
Organic & Biomolecular Chemistry, 2003, 1, 381
7150451 CIFC32 H28 N8 O7P 21 21 217.688; 13.2934; 31.112
90; 90; 90
3179.64Rosenbohm, Christoph; Christensen, Signe M.; Sørensen, Mads D.; Pedersen, Daniel Sejer; Larsen, Lotte-Emilie; Wengel, Jesper; Koch, Troels
Synthesis of 2'-amino-LNA: a new strategyElectronic supplementary information (ESI) available: further experimental details and the structure of compound S11 (.pdb file). See http://www.rsc.org/suppdata/ob/b2/b208864a/
Organic & Biomolecular Chemistry, 2003, 1, 655
7150452 CIFC18 H34 O5 SiP -112.677; 12.7397; 13.0974
102.147; 95.218; 91.166
2057.62Johnston, Derek; Couché, Emmanuel; Edmonds, David J.; Muir, Kenneth W.; Procter, David J.
The first synthetic studies on pestalotiopsin A. A stereocontrolled approach to the functionalised bicyclic coreElectronic supplementary information (ESI) available: crystal structure analysis of 18a. See http://www.rsc.org/suppdata/ob/b2/b209066j/
Organic & Biomolecular Chemistry, 2003, 1, 328
7150453 CIFC27 H35 N O2P 1 21 112.368; 17.711; 21.575
90; 92.382; 90
4721.9Chen, Yong-Jun; Gao, Ling-Jie; Murad, Ibrahim; Verstuyf, Annemieke; Verlinden, Lieve; Verboven, Christel; Bouillon, Roger; Viterbo, Davide; Milanesio, Marco; Van Haver, Dirk; Vandewalle, Maurits; De Clercq, Pierre J.
Synthesis, biological activity, and conformational analysis of CD-ring modified trans-decalin 1α,25-dihydroxyvitamin D analogsElectronic supplementary information (ESI) available: Further experimental details. See http://www.rsc.org/suppdata/ob/b2/b209147j/
Organic & Biomolecular Chemistry, 2003, 1, 257
7150454 CIFC9 H14 O2P 1 21 16.1182; 6.6921; 10.181
90; 94.019; 90
415.82Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar
Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols
Org. Biomol. Chem., 2003, 1, 700-704
7150455 CIFC10 H16 OP 21 21 215.9714; 20.5466; 22.5632
90; 90; 90
2768.32Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar
Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols
Org. Biomol. Chem., 2003, 1, 700-704
7150456 CIFC10 H16 OP 41 21 210.7633; 10.7633; 31.3398
90; 90; 90
3630.67Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar
Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols
Org. Biomol. Chem., 2003, 1, 700-704
7150457 CIFC48 H48 B20 N6 O4P 1 21/n 114.587; 7; 27.868
90; 105.047; 90
2748.01Frixa, Christophe; Mahon, Mary F.; Thompson, Andrew S.; Threadgill, Michael D.
Synthesis of meso-substituted porphyrins carrying carboranes and oligo(ethylene glycol) units for potential applications in boron neutron capture therapyElectronic supplementary information (ESI) available: experimental details for the synthesis of compounds 12‒15, 31 and 32. See http://www.rsc.org/suppdata/ob/b2/b209534c/
Organic & Biomolecular Chemistry, 2003, 1, 306
7150458 CIFC22 H23 B F4 OP 1 21/m 19.8532; 6.9944; 14.504
90; 105.737; 90
962.11Laus, Gerhard; Schottenberger, Herwig; Wurst, Klaus; Schütz, Johannes; Ongania, Karl-Hans; Horvath, Ulrike Erika Ida; Schwärzler, Alexander
Solvatochromism, halochromism, and preferential solvation of new dipolar guaiazulenyl 1,4-benzoquinone methidesElectronic supplementary information (ESI) available: Absorption maxima of the dyes 6‒10 in seven binary solvent mixtures. See http://www.rsc.org/suppdata/ob/b2/b209555f/
Organic & Biomolecular Chemistry, 2003, 1, 1409
7150459 CIFC30 H38 OP 1 21/c 114.324; 12.5501; 14.623
90; 100; 90
2588.8Laus, Gerhard; Schottenberger, Herwig; Wurst, Klaus; Schütz, Johannes; Ongania, Karl-Hans; Horvath, Ulrike Erika Ida; Schwärzler, Alexander
Solvatochromism, halochromism, and preferential solvation of new dipolar guaiazulenyl 1,4-benzoquinone methidesElectronic supplementary information (ESI) available: Absorption maxima of the dyes 6‒10 in seven binary solvent mixtures. See http://www.rsc.org/suppdata/ob/b2/b209555f/
Organic & Biomolecular Chemistry, 2003, 1, 1409
7150460 CIFC20 H22 N2 O2P 1 21/n 111.1081; 12.6796; 11.6659
90; 101.259; 90
1611.48Banwell, Martin G.; Edwards, Alison J.; Jolliffe, Katrina A.; Smith, Jason A.; Hamel, Ernest; Verdier-Pinard, Pascal
Total synthesis of (±)-rhazinal, an alkaloidal spindle toxin from Kopsia teoi
Organic & Biomolecular Chemistry, 2003, 1, 296

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