Crystallography Open Database

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7150109 CIFC5 H11 N O5 SP -17.3712; 7.4301; 9.0586
66.362; 87.942; 64.538
404.73Kenworthy, Martin N.; Taylor, Richard J. K.
Tethered aminohydroxylation using acyclic homo-allylic sulfamate esters and sulfonamides as substrates.
Organic & biomolecular chemistry, 2005, 3, 603-611
7150110 CIFC52 H40C 1 2/c 117.705; 21.289; 19.354
90; 96.336; 90
7250.4Elliott, Eric L.; Orita, Akihiro; Hasegawa, Daiki; Gantzel, Peter; Otera, Junzo; Siegel, Jay S.
Synthesis and properties of 1,6,7,12,13,18,19,24-octamethylacenaphthyleno[b,l]tetraphenylene.
Organic & biomolecular chemistry, 2005, 3, 581-583
7150111 CIFC12 H18 Br6P 1 21/n 115.676; 6.4009; 18.702
90; 112.578; 90
1732.7Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.
An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.
Organic & biomolecular chemistry, 2005, 3, 1880-1892
7150112 CIFC12 H18 Br4C 1 c 16.574; 31.53; 7.667
90; 108.03; 90
1511.16Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.
An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.
Organic & biomolecular chemistry, 2005, 3, 1880-1892
7150113 CIFC12 H18 Br4P 1 21/a 19.9321; 13.1468; 11.9463
90; 109.373; 90
1471.57Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.
An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.
Organic & biomolecular chemistry, 2005, 3, 1880-1892
7150114 CIFC12 H18 Br4P 1 21/n 111.4559; 7.4771; 17.7504
90; 91.342; 90
1520Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.
An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.
Organic & biomolecular chemistry, 2005, 3, 1880-1892
7150115 CIFC12 H18 Br2P 1 21/a 17.733; 15.842; 10.62
90; 102.83; 90
1268.53Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.
An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.
Organic & biomolecular chemistry, 2005, 3, 1880-1892
7150116 CIFC14 H21 Br6 NP -110.2529; 13.9866; 14.4984
75.851; 79.144; 83.639
1975.4Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.
An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.
Organic & biomolecular chemistry, 2005, 3, 1880-1892
7150117 CIFC12 H18 Br4P b c a17.163; 12.517; 14.25
90; 90; 90
3061.3Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.
An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.
Organic & biomolecular chemistry, 2005, 3, 1880-1892
7150118 CIFC12 H18 Br6P b c a11.67; 28.998; 10.483
90; 90; 90
3547.5Smith, Keith; Liu, Chia-Hui; El-Hiti, Gamal A; Kang, Gurvinder S.; Jones, Elfyn; Clement, Simon G.; Checquer, Alex D.; Howarth, Oliver W.; Hursthouse, Michael B.; Coles, Simon J.
An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations.
Organic & biomolecular chemistry, 2005, 3, 1880-1892
7150119 CIFC13 H9.43 N3 OP -110.057; 13.722; 15.423
72.17; 80.39; 86.9
1997.7Jónsson, Stefán; Arribas, Carlos Solano; Wendt, Ola F.; Siegel, Jay S.; Wärnmark, Kenneth
Synthesis of 2-pyridone-fused 2,2'-bipyridine derivatives. An unexpectedly complex solid state structure of 3,6-dimethyl-9H-4,5,9-triazaphenanthren-10-one.
Organic & biomolecular chemistry, 2005, 3, 996-1001
7150120 CIFC39 H24 O3P 63/m15.358; 15.358; 20.1237
90; 90; 120
4110.6Wooi, Goh Yit; White, Jonathan M.
Structural manifestations of the cheletropic reaction.
Organic & biomolecular chemistry, 2005, 3, 972-974
7150121 CIFC38 H26.5 N1.5 OC 1 2/c 120.7668; 10.7728; 25.164
90; 104.376; 90
5453.3Wooi, Goh Yit; White, Jonathan M.
Structural manifestations of the cheletropic reaction.
Organic & biomolecular chemistry, 2005, 3, 972-974
7150122 CIFC35 H22 O3P -110.0236; 10.4368; 12.1152
109.755; 103.475; 90.167
1155.4Wooi, Goh Yit; White, Jonathan M.
Structural manifestations of the cheletropic reaction.
Organic & biomolecular chemistry, 2005, 3, 972-974
7150123 CIFC18 H30 O6P 21 21 217.0435; 16.1734; 16.3288
90; 90; 90
1860.13Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.
A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.
Organic & biomolecular chemistry, 2005, 3, 1081-1088
7150124 CIFC16 H26 O6P 3118.685; 18.685; 12.2539
90; 90; 120
3705.03Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.
A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.
Organic & biomolecular chemistry, 2005, 3, 1081-1088
7150125 CIFC46 H38 O6P n m a17.357; 13.487; 14.83
90; 90; 90
3472Tellenbröker, Jörg; Barth, Dieter; Neumann, Beate; Stammler, Hans-Georg; Kuck, Dietmar
Methoxy-substituted centrohexaindanes through the fenestrane route.
Organic & biomolecular chemistry, 2005, 3, 570-571
7150126 CIFC14 H10 O3P 1 21/n 112.543; 7.122; 12.956
90; 102.4; 90
1130.4Kuhnert, Nikolai; Burzlaff, Nicolai; Patel, Chirag; Lopez-Periago, Ana
Tuning the size of macrocyclic cavities in trianglimine macrocycles.
Organic & biomolecular chemistry, 2005, 3, 1911-1921
7150127 CIFC17 H25 B F4 O3 SP 21 21 216.7991; 14.3737; 18.467
90; 90; 90
1804.75Aggarwal, Varinder K.; Hebach, Christina
Carboxylate-stabilised sulfur ylides (thetin salts) in asymmetric epoxidation for the synthesis of glycidic acids. Mechanism and implications.
Organic & biomolecular chemistry, 2005, 3, 1419-1427
7150128 CIFC31 H38 O9P 18.5216; 8.6643; 10.4987
92.857; 96.328; 113.673
701.82Loeb, Stephen J.; Tramontozzi, David A.
Branched [n]rotaxanes (n = 2-4) from multiple dibenzo-24-crown-8 ether wheels and 1,2-bis(4,4'-dipyridinium)ethane axles.
Organic & biomolecular chemistry, 2005, 3, 1393-1401
7150129 CIFC10 H10 N2 O5P 1 21 15.6; 24.29; 7.74
90; 96.24; 90
1046.6Cwik, Agnieszka; Fuchs, Aliz; Hell, Zoltán; Böjtös, Ildikó; Halmai, Dóra; Bombicz, Petra
Modified Mg : Al hydrotalcite in the synthesis of oxazolidin-2-ones.
Organic & biomolecular chemistry, 2005, 3, 967-969
7150130 CIFC13 H13 N3 O2P 1 21/c 19.891; 10.066; 11.732
90; 96.743; 90
1160Coogan, Michael P.; Ooi, Li-ling; Pertusati, Fabrizio
Synthesis of unsymmetrical 3,3'-biquinazoline-2,2'-diones by condensation of 3-aminoquinazolinones with benzoxazinones; fortuitous discovery, and further syntheses of 4-H-3-oxo-1,9a,10-triazaanthracen-9-ones.
Organic & biomolecular chemistry, 2005, 3, 1134-1139
7150131 CIFC19 H31 N O2P -110.6747; 12.0073; 15.319
101.634; 99.209; 90.717
1896.34Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.
Organic & biomolecular chemistry, 2005, 3, 1453-1459
7150132 CIFC11 H15 N O2P 1 21/c 114.266; 12.599; 19.587
90; 100.86; 90
3457Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.
Organic & biomolecular chemistry, 2005, 3, 1453-1459
7150133 CIFC19 H36 N2 O3P -110.0678; 12.211; 9.0829
97.147; 92.285; 109.753
1038.7Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.
Organic & biomolecular chemistry, 2005, 3, 1453-1459
7150134 CIFC16 H24 N2 O3P -112.233; 13.207; 11.841
105.46; 109.07; 90.81
1731.8Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.
Organic & biomolecular chemistry, 2005, 3, 1453-1459
7150135 CIFC20 H35 N3 O3C m c 2113.2912; 13.0775; 12.1094
90; 90; 90
2104.8Kanamori, Daisuke; Furukawa, Atsushi; Okamura, Taka-aki; Yamamoto, Hitoshi; Ueyama, Norikazu
Contribution of the intramolecular hydrogen bond to the shift of the pKa value and the oxidation potential of phenols and phenolate anions.
Organic & biomolecular chemistry, 2005, 3, 1453-1459
7150136 CIFC16 H15 F2 N3 O3 SP 1 21/c 110.5772; 17.2951; 9.394
90; 109.781; 90
1617.08Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150137 CIFC16 H12 F3 N3 O2 SC 1 2/c 131.208; 5.051; 21.756
90; 110.08; 90
3221Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150138 CIFC16 H13 F2 N3 O2 SP 1 21/c 110.614; 7.484; 20.523
90; 96.25; 90
1620.6Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150139 CIFC16 H17 N3 O3 SP 1 21/c 115.9809; 9.4557; 10.5313
90; 90.471; 90
1591.34Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150140 CIFC16 H14 F3 N3 O3 SP 1 21/n 18.3741; 19.8459; 10.4665
90; 108.845; 90
1646.2Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150141 CIFC16 H11 F3 N2P 1 21/n 18.46; 16.282; 10.706
90; 107.52; 90
1406.3Norris, Timothy; Colon-Cruz, Roberto; Ripin, David H. B.
New hydroxy-pyrazoline intermediates, subtle regio-selectivity and relative reaction rate variations observed during acid catalyzed and neutral pyrazole cyclization.
Organic & biomolecular chemistry, 2005, 3, 1844-1849
7150142 CIFC25 H37 N2 O4 S2P -15.0885; 15.5224; 16.5379
102.839; 95.947; 94.025
1260.9Marsman, Albert W.; van Poecke, Bart L. A.; Jenneskens, Leonardus W.; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H.
4-(Tetrahydro-4H-thiopyran-1-oxide-4-ylidene)-cyclohexanone oxime in the solid-state. A two-dimensional network of enantiomorphous chains interconnected by weak hydrogen bonds.
Organic & biomolecular chemistry, 2005, 3, 1402-1409
7150143 CIFC27 H34 N2 O4P 1 21 113.383; 7.0716; 13.9236
90; 110.93; 90
1230.77Davies, Stephen G.; Rodriguez-Solla, Humberto; Tamayo, Juan A.; Cowley, Andrew R.; Concellon, Carmen; Garner, A. Christopher; Parkes, Alastair L.; Smith, Andrew D.
Asymmetric conjugate reductions with samarium diiodide: asymmetric synthesis of (2S,3R)- and (2S,3S)-[2-2H,3-2H]-leucine-(S)-phenylalanine dipeptides and (2S,3R)-[2-(2)H,3-2H]-phenylalanine methyl ester.
Organic & biomolecular chemistry, 2005, 3, 1435-1447
7150144 CIFC12 H18 N2 O6P 1 21/n 16.2236; 9.575; 10.455
90; 92.63; 90
622.4Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio
Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.
Organic & biomolecular chemistry, 2005, 3, 1489-1494
7150145 CIFC18 H19 N O4C 1 c 115.63; 12.6665; 7.9832
90; 93.946; 90
1576.7Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio
Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands.
Organic & biomolecular chemistry, 2005, 3, 1489-1494
7150146 CIFC37 H41 N3 O7P 1 21/n 112.47; 15.549; 16.864
90; 98.63; 90
3233Banthia, Sandip; Samanta, Anunay
Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.
Organic & biomolecular chemistry, 2005, 3, 1428-1434
7150147 CIFC72 H86 Cl2 N6 O25P -112.7722; 15.865; 20.138
78.132; 71.638; 69.81
3613.3Banthia, Sandip; Samanta, Anunay
Calix[4]azacrown and 4-aminophthalimide-appended calix[4]azacrown: synthesis, structure, complexation and fluorescence signaling behaviour.
Organic & biomolecular chemistry, 2005, 3, 1428-1434
7150148 CIFC25 H26 O8P 21 21 216.622; 8.534; 39.364
90; 90; 90
2224.5Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.
Chemoenzymatic synthesis of carbasugars from iodobenzene.
Organic & biomolecular chemistry, 2005, 3, 1953-1963
7150149 CIFC16 H22 O10P 15.871; 9.395; 16.257
87.588; 86.434; 81.819
885.4Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.
Chemoenzymatic synthesis of carbasugars from iodobenzene.
Organic & biomolecular chemistry, 2005, 3, 1953-1963
7150150 CIFC17 H12 O2 TeP 1 21/n 111.8427; 6.0131; 20.0259
90; 90.914; 90
1425.89Fry, Fiona H.; Holme, Andrea L.; Giles, Niroshini M.; Giles, Gregory I.; Collins, Catriona; Holt, Kim; Pariagh, Sandra; Gelbrich, Thomas; Hursthouse, Michael B.; Gutowski, Nick J.; Jacob, Claus
Multifunctional redox catalysts as selective enhancers of oxidative stress.
Organic & biomolecular chemistry, 2005, 3, 2579-2587
7150151 CIFC16 H21 Br O4P 1 21/n 19.3004; 14.8301; 11.6244
90; 108.528; 90
1520.2Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon
A synthesis of (+/-)-sparteine.
Organic & biomolecular chemistry, 2005, 3, 1557-1567
7150152 CIFC17 H24 O4P -19.6393; 9.6637; 17.7208
78.728; 79.019; 76.781
1557.5Buttler, Thomas; Fleming, Ian; Gonsior, Sabine; Kim, Bo-Hye; Sung, A-Young; Woo, Hee-Gweon
A synthesis of (+/-)-sparteine.
Organic & biomolecular chemistry, 2005, 3, 1557-1567
7150153 CIFC10 H15 Cl N2 O3P 21 21 216.4839; 12.5501; 13.7734
90; 90; 90
1120.79Duggan, Heather M. E.; Hitchcock, Peter B.; Young, Douglas W.
Synthesis of 5/7-, 5/8- and 5/9-bicyclic lactam templates as constraints for external beta-turns.
Organic & biomolecular chemistry, 2005, 3, 2287-2295
7150154 CIFC20 H21 N3 O5 SP 21 21 216.0476; 10.1799; 32.0263
90; 90; 90
1971.67Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart
Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.
Organic & biomolecular chemistry, 2005, 3, 1369-1371
7150155 CIFC20 H25 N O2 S2P c a 2115.717; 6.1884; 39.42
90; 90; 90
3834.1Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart
Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.
Organic & biomolecular chemistry, 2005, 3, 1369-1371
7150156 CIFC13 H20 Cl N SP b c a8.5638; 14.0302; 23.1201
90; 90; 90
2777.92Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart
Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.
Organic & biomolecular chemistry, 2005, 3, 1369-1371
7150157 CIFC25 H30 N2 O2C 1 2 124.525; 8.188; 26.609
90; 116.853; 90
4767.2Koepler, Oliver; Mazzini, Stefania; Bellucci, Maria Cristina; Mondelli, Rosanna; Baro, Angelika; Laschat, Sabine; Hotfilder, Marc; Viseur, Christophle; Frey, Wolfgang
Synthesis and DNA binding properties of novel benzo[b]isoquino[2,3-h]-naphthyridines.
Organic & biomolecular chemistry, 2005, 3, 2848-2858
7150158 CIFC3 F9 K N2 O5 S3P b c n22.385; 16.653; 7.093
90; 90; 90
2644.1Garlyauskayte, Romute Yu; Chernega, Alexander N.; Michot, Christophe; Armand, Michel; Yagupolskii, Yurii L.; Yagupolskii, Lev M.
Synthesis of new organic super acids-N-(trifluoromethylsulfonyl)imino derivatives of trifluoromethanesulfonic acid and bis(trifluoromethylsulfonyl)imide.
Organic & biomolecular chemistry, 2005, 3, 2239-2243

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