Crystallography Open Database

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7213029 CIFC17 H15 N5P 1 21/n 19.7511; 7.3223; 20.122
90; 101.377; 90
1408.5Crabb, Derek L.; McCullough, Kevin J.; Preston, Peter N.; Rosair, Georgina M.; Bishop, Brian C.; Wright, Stanley H. B.; Clegg, William; Coles, Simon
Preparation of [1,2,4]triazoloquinazolinium betaines and molecular rearrangements of putative [1,2,4]triazolo[4,3-a][1,3,5]triazinium betaines
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1517
7213030 CIFC19 H25 N11P -18.023; 11.419; 11.582
91.53; 97.3; 105.76
1010.8Crabb, Derek L.; McCullough, Kevin J.; Preston, Peter N.; Rosair, Georgina M.; Bishop, Brian C.; Wright, Stanley H. B.; Clegg, William; Coles, Simon
Preparation of [1,2,4]triazoloquinazolinium betaines and molecular rearrangements of putative [1,2,4]triazolo[4,3-a][1,3,5]triazinium betaines
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1517
7213031 CIFC27 H28 Cl3 N12P -19.576; 12.716; 13.076
78.89; 76.29; 78.57
1498.3Crabb, Derek L.; McCullough, Kevin J.; Preston, Peter N.; Rosair, Georgina M.; Bishop, Brian C.; Wright, Stanley H. B.; Clegg, William; Coles, Simon
Preparation of [1,2,4]triazoloquinazolinium betaines and molecular rearrangements of putative [1,2,4]triazolo[4,3-a][1,3,5]triazinium betaines
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1517
7213032 CIFC19 H24 O6P -19.766; 11.568; 9.367
112.21; 117.65; 75.36
864Fujita, Morifumi; Lainé, Dramane; Ley, Steven V.
Dispiroketals in synthesis. Part 25.1 Further reactions of dispiroketal protected glycolate to afford optically active 1,2,3,4-tetraols
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1647
7213034 CIFC24 H28 O4 SP 1 21 15.939; 14.95; 11.748
90; 91.14; 90
1042.9Lam, Hon Wai; Cooke, Paul A.; Pattenden, Gerald; Bandaranayake, Wickramasinghe M.; Wickramasinghe, Wasantha A.
Structure and total synthesis of benzylthiocrellidone, a novel dimedone-based vinyl sulfide from the sponge Crella spinulata
Journal of the Chemical Society, Perkin Transactions 1, 1999, 847
7213035 CIFC12 H11 N5 OP -4 21 c19.028; 19.028; 7.014
90; 90; 90
2539.5Booth, Brian L.; Costa, Flora A. T.; Mahmood, Zahid; Pritchard, Robin G.; Proença, M. Fernanda
Synthesis of (Z )-N-(2-amino-1,2-dicyanovinyl)formamide O-alkyloximes and a study of their cyclization in the presence of base
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1853
7213036 CIFC12 H11 N5 OP 1 21 18.3838; 6.638; 10.58
90; 93.35; 90
587.79Booth, Brian L.; Costa, Flora A. T.; Mahmood, Zahid; Pritchard, Robin G.; Proença, M. Fernanda
Synthesis of (Z )-N-(2-amino-1,2-dicyanovinyl)formamide O-alkyloximes and a study of their cyclization in the presence of base
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1853
7213037 CIFC14 H17 F N2P 1 21/c 18.767; 24.309; 12.476
90; 110.44; 90
2491.4Kao, Kuo-Hsi; Sheu, Ren-Shyang; Chen, Yuh-Shih; Lin, Wen-Wei; Liu, Ju-Tsung; Yao, Ching-Fa
Face selectivity in the reactions of Grignard reagents with 5-substituted-2-dicyanomethyleneadamantanes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2383
7213038 CIFC20 H21 F N2P 1 21/n 17.5393; 9.1199; 23.597
90; 95.474; 90
1615.1Kao, Kuo-Hsi; Sheu, Ren-Shyang; Chen, Yuh-Shih; Lin, Wen-Wei; Liu, Ju-Tsung; Yao, Ching-Fa
Face selectivity in the reactions of Grignard reagents with 5-substituted-2-dicyanomethyleneadamantanes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2383
7213039 CIFC14 H16 O2P -16.79; 7.614; 12.02
93.73; 99.86; 115.41
546.3Chow, Tahsin J.; Hon, Yung-Son; Jen, Chung-Chi; Chern, Jyh-Haur; Lin, Kuan-Jiuh
Chemistry of cage-shaped hydrocarbons. Ring transformations on a tricyclo[5.2.1.0 4,10]decane system
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1847
7213047 CIFC21 H18 N4 SP -19.2079; 10.2328; 10.764
105.59; 99.435; 91.538
961Butler, Richard N.; Cloonan, Martin O.; McArdle, P.; Cunningham, D.
1,2,3-Thiadiazol-3-ium-3-methanide (ylide) 1,3-dipoles: cycloaddition–rearrangement sequences leading to substituted 1-(2-vinylthioethenyl)pyrazole systems: azolium 1,3-dipoles
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1415
7213048 CIFC27 H24 N2 O8 SP -110.605; 11.781; 12.306
97.974; 105.989; 111.055
1330Butler, Richard N.; Cloonan, Martin O.; McArdle, P.; Cunningham, D.
1,2,3-Thiadiazol-3-ium-3-methanide (ylide) 1,3-dipoles: cycloaddition–rearrangement sequences leading to substituted 1-(2-vinylthioethenyl)pyrazole systems: azolium 1,3-dipoles
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1415
7213054 CIFC26 H38 N4 O6P 1 21 18.2588; 13.6878; 24.1712
90; 96.55; 90
2714.59Efskind, Jon; Rømming, Christian; Undheim, Kjell
Ru(II)-Catalysis in preparation of sterically congested and stereochemically homogeneous heterospiranes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1677
7213062 CIFC22 H34 N2 O4 SP 1 21 17.4889; 8.9188; 16.948
90; 101.972; 90
1107.4Alves, M. José; Bickley, Jamie F.; Gilchrist, Thomas L.
Diastereoselectivity in the addition and cycloaddition reactions of a chiral ester of 2H-azirine-3-carboxylic acid
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1399
7213063 CIFC23 H34 N2 O4 S2P 21 21 2110.5115; 11.468; 20.141
90; 90; 90
2427.9Alves, M. José; Bickley, Jamie F.; Gilchrist, Thomas L.
Diastereoselectivity in the addition and cycloaddition reactions of a chiral ester of 2H-azirine-3-carboxylic acid
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1399
7213066 CIFC62 H45 Br O4C 1 2/c 126.276; 16.196; 24.731
90; 112.66; 90
9712Mori, Akira; Yan, Yong Zhe; Kato, Nobuo; Takeshita, Hitoshi; Nozoe, Tetsuo
Thermal cycloaddition reactions of azulene-1,5-quinones and azulene-1,7-quinones with cyclic dienes and cycloheptatriene
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2129
7213067 CIFC62 H45 Br O4C 1 2/c 141.133; 12.545; 18.353
90; 99.29; 90
9346Mori, Akira; Yan, Yong Zhe; Kato, Nobuo; Takeshita, Hitoshi; Nozoe, Tetsuo
Thermal cycloaddition reactions of azulene-1,5-quinones and azulene-1,7-quinones with cyclic dienes and cycloheptatriene
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2129
7213068 CIFC26 H17 Br O4P 1 21/n 112.699; 16.985; 9.715
90; 101.75; 90
2051.5Mori, Akira; Yan, Yong Zhe; Kato, Nobuo; Takeshita, Hitoshi; Nozoe, Tetsuo
Thermal cycloaddition reactions of azulene-1,5-quinones and azulene-1,7-quinones with cyclic dienes and cycloheptatriene
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2129
7213069 CIFC18 H17 Cl9 N3 S SbP 1 21/n 18.114; 26.501; 13.45
90; 101.42; 90
2835El-Gazzar, Abdel-Rahman B.A.; Scholten, Kirsten; Guo, Yiping; Weißenbach, Kerstin; Hitzler, Martin G.; Roth, Gerhard; Fischer, Helmut; Jochims, Johannes C.
Cycloadditions of 1-aza-2-azoniaallene cations to isothiocyanates
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1999
7213070 CIFC17 H25 N O3P 21 21 216.0668; 11.952; 23.096
90; 90; 90
1674.7Rae, Alastair; Aliev, Abil E.; Anderson, J. Edgar; Castro, José L.; Ker, James; Parsons, Simon; Stchedroff, Marc; Thomas, Steven; Tabor, Alethea B.
Preparation and structure of homochiral tetrahydro-2H-1,3-oxazines
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1933
7213079 CIFC20 H21 F2 N O3P -17.7023; 9.925; 13.356
80.96; 76.495; 70.767
933.8Balnaves, Andrew S.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Palmer, Michael J.; Percy, Jonathan M.
The generation of difluoroenolates from trifluoroethanol and reproducible syntheses of α,α-difluoro-β-hydroxy ketones
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2525
7213080 CIFC17 H22 F2 N2 O6P 1 21/n 17.7241; 25.4363; 10.1058
90; 103.075; 90
1934.04Balnaves, Andrew S.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.; Palmer, Michael J.; Percy, Jonathan M.
The generation of difluoroenolates from trifluoroethanol and reproducible syntheses of α,α-difluoro-β-hydroxy ketones
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2525
7213083 CIFC17 H19 N3 O2 SP 1 21/n 113.33; 8.404; 15.1
90; 100.2; 90
1664.8Manh, Gabriel T.; Purseigle, Franck; Dubreuil, Didier; Pradère, Jean Paul; Guingant, André; Danion-Bougot, Renée; Danion, Daniel; Toupet, Loic
N-Thio- and N-selenophenacylamidines: electrophilic activation as a route to some 1-hetero-3-aza-4-dimethylaminobuta-1,3-dienes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2821
7213084 CIFC18 H21 N3 O2 SP 21 21 218.032; 13.044; 17.604
90; 90; 90
1844.4Manh, Gabriel T.; Purseigle, Franck; Dubreuil, Didier; Pradère, Jean Paul; Guingant, André; Danion-Bougot, Renée; Danion, Daniel; Toupet, Loic
N-Thio- and N-selenophenacylamidines: electrophilic activation as a route to some 1-hetero-3-aza-4-dimethylaminobuta-1,3-dienes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2821
7213085 CIFC13 H18 N2 O3P 1 21/n 112.638; 7.998; 12.968
90; 93.15; 90
1308.8Manh, Gabriel T.; Purseigle, Franck; Dubreuil, Didier; Pradère, Jean Paul; Guingant, André; Danion-Bougot, Renée; Danion, Daniel; Toupet, Loic
N-Thio- and N-selenophenacylamidines: electrophilic activation as a route to some 1-hetero-3-aza-4-dimethylaminobuta-1,3-dienes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2821
7213086 CIFC35 H30P 1 21/c 112.26; 19.77; 10.336
90; 94.688; 90
2496.9Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro
Novel rearrangement of conformationally restrained [3.3]orthocyclophanes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2101
7213087 CIFC25 H23 BrP 1 21/a 118.639; 10.296; 9.869
90; 96.77; 90
1880.7Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro
Novel rearrangement of conformationally restrained [3.3]orthocyclophanes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2101
7213088 CIFC25 H23 BrP 1 21/a 19.376; 23.622; 9.288
90; 112.03; 90
1906.9Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro
Novel rearrangement of conformationally restrained [3.3]orthocyclophanes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2101
7213090 CIFC18 H30 N4 O3P 1 21/c 19.382; 12.1345; 17.121
90; 97.215; 90
1933.7Long, Nicholas J.; Parker, David G.; Speyer, Paul R.; White, Andrew J. P.; Williams, David J.
Efficient syntheses of polymerisable pendant arm azamacrocycles and formation of poly(vinylbenzyltriazacyclododecane)
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1621
7213092 CIFC12 H15 N O4 SP -18.195; 9.437; 9.663
98.89; 105.927; 106.06
668.7Juhl, Karsten; Hazell, Rita G.; Jørgensen, Karl Anker
Catalytic enantioselective formation of aziridines from α-imino esters
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2293
7213093 CIFC36 H45 N3 O4P 21 21 219.758; 17.425; 19.072
90; 90; 90
3242.9Enders, Dieter; Shilvock, John P.; Raabe, Gerhard
Asymmetric nucleophilic α-amino-acylation with metalated chiral amino nitriles: enantioselective synthesis of 3-substituted 5-amino-4-oxo-esters via asymmetric Michael addition
Journal of the Chemical Society, Perkin Transactions 1, 1999, 1617
7213096 CIFC15 H20 O3P 1 21/c 16.998; 18.07; 11.031
90; 104.53; 90
1350.3Srikrishna, Adusumilli; Nagaraju, Sankuratri; Venkateswarlu, Somepalli; Hiremath, Uma S.; Reddy, T. Jagadeeswar; Venugopalan, Paloth
A formal total synthesis of (±)-homogynolide-B
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2069
7213097 CIFC24 H28 O3P 1 21 19.8331; 10.3392; 10.5216
90; 99.957; 90
1053.58Dang, Hai-Shan; Elsegood, Mark R. J.; Kim, Kyoung-Mahn; Roberts, Brian P.
Radical-chain reductive alkylation of electron-rich alkenes mediated by silanes in the presence of thiols as polarity-reversal catalysts
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2061
7213098 CIFC18 H28 O8P 1 21 110.0392; 7.6254; 13.2278
90; 107.559; 90
965.45Dang, Hai-Shan; Elsegood, Mark R. J.; Kim, Kyoung-Mahn; Roberts, Brian P.
Radical-chain reductive alkylation of electron-rich alkenes mediated by silanes in the presence of thiols as polarity-reversal catalysts
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2061
7213099 CIFC23 H28 N4 O4 S2P 1 21/c 18.92; 9.845; 26.878
90; 92.23; 90
2358.6Adamson, Jason; Coe, Benjamin J.; Grassam, Helen L.; Jeffery, John C.; Coles, Simon J.; Hursthouse, Michael B.
Reactions of 1,3-diethyl-2-thiobarbituric acid with aldehydes: formation of arylbis(1,3-diethyl-2-thiobarbitur-5-yl)methanes † and crystallographic evidence for ground state polarisation in 1,3-diethyl-5-[4-(dimethylamino)benzylidene]-2-thiobarbituric acid
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2483
7213100 CIFC11 H19 N O6 SP -15.928; 13.671; 18.592
86.079; 80.87; 77.481
1451.4Avenoza, Alberto; Cativiela, Carlos; Fernández-Recio, Miguel A.; Peregrina, Jesús M.
Synthesis of 1-amino-4-hydroxycyclohexane-1-carboxylic acids
Journal of the Chemical Society, Perkin Transactions 1, 1999, 3375
7213101 CIFC11 H19 N O6 SC 1 2/c 134.154; 8.581; 9.984
90; 92.511; 90
2923.26Avenoza, Alberto; Cativiela, Carlos; Fernández-Recio, Miguel A.; Peregrina, Jesús M.
Synthesis of 1-amino-4-hydroxycyclohexane-1-carboxylic acids
Journal of the Chemical Society, Perkin Transactions 1, 1999, 3375
7213108 CIFC32 H30 S8P 1 21/a 113.684; 5.827; 20.132
90; 91.76; 90
1604.5Antolini, Luciano; Borsari, Marco; Goldoni, Francesca; Iarossi, Dario; Mucci, Adele; Schenetti, Luisa
Synthesis, structural characterization and electronic properties of 3,3″″′-bis(butylsulfanyl)-2,2′∶5′,2″∶5″,2‴∶5‴,2″″∶5″″,2‴″-sexithiophene
Journal of the Chemical Society, Perkin Transactions 1, 1999, 3207
7213112 CIFC14 H25 N OP -18.883; 12.104; 13.479
88.19; 84.38; 85.53
1437.5Jirgensons, Aigars; Kauss, Valerjans; Mishnev, Anatolij F.; Kalvinsh, Ivars
The synthesis of 3-amino-3-methylbicyclo[3.3.1]nonanes: Endo-selectivity in the Ritter reaction of 1,3,5,7α-tetramethylbicyclo[3.3.1]nonan-3-ol
Journal of the Chemical Society, Perkin Transactions 1, 1999, 3527
7213127 CIFC27 H42 O4 S SiP 1 21/a 115.048; 11.327; 16.988
90; 97.02; 90
2873.9Fujishima, Hiroshi; Takeshita, Hiroshi; Suzuki, Shuichi; Toyota, Masahiro; Ihara, Masataka
Hexamethyldisilazanes mediated one-pot intramolecular Michael addition–olefination reactions leading to exo-olefinated bicyclo[6.4.0]dodecanes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2609
7213129 CIFC8 H5 Cl2 N O2 S4P -17.814; 8.2112; 10.115
86.496; 88.77; 85.463
645.7Barriga, Susana; Konstantinova, Lidia S.; Marcos, Carlos F.; Rakitin, Oleg A.; Rees, Charles W.; Torroba, Tomás; White, Andrew J. P.; Williams, David J.
Conversion of N-alkyldiisopropylamines into N,N-bis(5-chloro-3-oxo[1,2]dithiol-4-yl)amines
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2237
7213130 CIFC10 H16 B NP 1 21/n 110.061; 9.145; 11.597
90; 114.76; 90
968.9Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.
The diastereoselective and enantioselective substitution reactions of an isoindoline–borane complex
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2439
7213131 CIFC12 H22 B N SiP 21 21 218.201; 9.792; 16.905
90; 90; 90
1357.5Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.
The diastereoselective and enantioselective substitution reactions of an isoindoline–borane complex
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2439
7213132 CIFC12 H22 B N SiP 21 21 219.877; 10.076; 13.669
90; 90; 90
1360.3Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.
The diastereoselective and enantioselective substitution reactions of an isoindoline–borane complex
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2439
7213133 CIFC12 H18 I NP 1 21 18.639; 7.619; 9.731
90; 97.22; 90
635.4Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.
The diastereoselective and enantioselective substitution reactions of an isoindoline–borane complex
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2439
7213134 CIFC11 H7 N OP b c a5.3646; 13.6245; 22.377
90; 90; 90
1635.5McNab, Hamish; Parsons, Simon; Stevenson, Elizabeth
Pyrolytic cascades: a convenient entry to 5H-pyrrolo[2,1-a]isoindol-5-ones and related heterocyclic systems
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2047
7213135 CIFC10 H6 N2 OP n a 2113.055; 5.5116; 21.84
90; 90; 90
1571.5McNab, Hamish; Parsons, Simon; Stevenson, Elizabeth
Pyrolytic cascades: a convenient entry to 5H-pyrrolo[2,1-a]isoindol-5-ones and related heterocyclic systems
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2047
7213138 CIFC20 H16 N2R -3 :H31.695; 31.695; 7.7985
90; 90; 120
6784.6Tsue, Hirohito; Fujinami, Hideyuki; Itakura, Takeshi; Tsuchiya, Ryuta; Kobayashi, Kimiko; Takahashi, Hiroki; Hirao, Ken-ichi
8,8′-Dialkyl-1,1′-biisoquinolines: preparation, absolute configuration and unexpected racemization behaviour †
Journal of the Chemical Society, Perkin Transactions 1, 1999, 3677
7213139 CIFC22 H20 N2P b c a21.343; 20.316; 7.5398
90; 90; 90
3269.3Tsue, Hirohito; Fujinami, Hideyuki; Itakura, Takeshi; Tsuchiya, Ryuta; Kobayashi, Kimiko; Takahashi, Hiroki; Hirao, Ken-ichi
8,8′-Dialkyl-1,1′-biisoquinolines: preparation, absolute configuration and unexpected racemization behaviour †
Journal of the Chemical Society, Perkin Transactions 1, 1999, 3677
7213140 CIFC20 H21 Cl O4 SP 1 2/n 112.291; 11.696; 13.693
90; 96.95; 90
1954McCarthy, Daniel G.; Collins, Cornelius C.; O’Driscoll, Joan P.; Lawrence, Simon E.
Lewis acid mediated elimination and rearrangement reactions of α-chlorosulfides derived from phenylthio-substituted 4,5-dihydrofuran-3(2H )-ones.
Journal of the Chemical Society, Perkin Transactions 1, 1999, 3667

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