Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7213185 | CIF | C22 H20 O4 | P 1 21 1 | 9.733; 15.587; 5.722 90; 99.184; 90 | 856.947 | Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J. Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 2. The β-cyclodextrin‒4,7-dimethylcoumarin inclusion complex: a new β-cyclodextrin dimer packing type, unanticipated photoproduct formation, and an examination of guest influence on β-CD dimer packing Journal of the Chemical Society, Perkin Transactions 2, 2000, 1095 |
| 7213186 | CIF | C104 H200 O98 | P 1 | 18.01; 15.53; 15.37 103.35; 113.22; 99.46 | 3684 | Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J. Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 3. The β-cyclodextrin‒7-hydroxy-4-methylcoumarin inclusion complex: direct observation of photodimerization by X-ray crystallography Journal of the Chemical Society, Perkin Transactions 2, 2000, 1105 |
| 7213187 | CIF | C104 H200 O98 | P 1 | 18.133; 15.479; 15.401 102.9; 113.35; 99.53 | 3709.4 | Brett, Tom J.; Alexander, Jennifer M.; Stezowski, John J. Chemical insight from crystallographic disorder-structural studies of supramolecular photochemical systems. Part 3. The β-cyclodextrin‒7-hydroxy-4-methylcoumarin inclusion complex: direct observation of photodimerization by X-ray crystallography Journal of the Chemical Society, Perkin Transactions 2, 2000, 1105 |
| 7213188 | CIF | C44 H40 N2 O3 | P 21 21 21 | 9.525; 14.705; 24.448 90; 90; 90 | 3424.3 | Barton, Benita; Caira, Mino R.; McCleland, Cedric W.; Taljaard, Benjamin Synthesis of N,N′-bis(9-phenylxanthen-9-yl)ethylenediamine and an investigation of its host‒guest inclusion potential Journal of the Chemical Society, Perkin Transactions 2, 2000, 865 |
| 7213189 | CIF | C32 H34 O5 | P 21 21 21 | 10.703; 12.29; 21.49 90; 90; 90 | 2826.8 | ysek, Robert; Krajewski, Piotr; Urbańczyk-Lipkowska, Zofia; Furman, Bartłomiej; Kałuża, Zbigniew; Kozerski, Lech; Chmielewski, Marek Conformation of chiral alkoxyallenes by proton NMR spectroscopy Journal of the Chemical Society, Perkin Transactions 2, 2000, 61 |
| 7213191 | CIF | C12 H14 Cl2 | P 1 21/n 1 | 9.0585; 8.2339; 14.66 90; 99.398; 90 | 1078.8 | van Eis, Maurice J.; de Wolf, Willem H.; Bickelhaupt, Friedrich; Boese, Roland Structures and strain energies of small [n]metacyclophanes Journal of the Chemical Society, Perkin Transactions 2, 2000, 793 |
| 7213192 | CIF | C12 H14 Cl2 | P -1 | 8.9226; 11.207; 12.067 111.422; 92.306; 95.988 | 1113.2 | van Eis, Maurice J.; de Wolf, Willem H.; Bickelhaupt, Friedrich; Boese, Roland Structures and strain energies of small [n]metacyclophanes Journal of the Chemical Society, Perkin Transactions 2, 2000, 793 |
| 7213200 | CIF | C60 H80 N4 O6 | I 1 2/c 1 | 22.32; 21.09; 22.89 90; 94.583; 90 | 10741 | Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors Journal of the Chemical Society, Perkin Transactions 2, 2000, 511 |
| 7213201 | CIF | C61 H72 N4 O5 | P -1 | 10.442; 13.208; 23.11 72.321; 85.089; 73.503 | 2912 | Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors Journal of the Chemical Society, Perkin Transactions 2, 2000, 511 |
| 7213202 | CIF | C56 H74 Cl4 N3 O10 | P -1 | 11.197; 14.68; 17.61 90.17; 97.249; 92.823 | 2868 | Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors Journal of the Chemical Society, Perkin Transactions 2, 2000, 511 |
| 7213203 | CIF | C76 H40 N6 O6 | P n m a | 28; 15.619; 13.818 90; 90; 90 | 6043 | Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors Journal of the Chemical Society, Perkin Transactions 2, 2000, 511 |
| 7213204 | CIF | C8 H14 N2 O2 | P n m a | 10.0872; 11.797; 7.7925 90; 90; 90 | 927.3 | Marsman, Albert W.; van Walree, Cornelis A.; Havenith, Remco W. A.; Jenneskens, Leonardus W.; Lutz, Martin; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H. Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic study Journal of the Chemical Society, Perkin Transactions 2, 2000, 501 |
| 7213205 | CIF | C10 H18 N2 O2 | P -1 | 7.1363; 7.2813; 11.6544 87.8805; 72.1948; 82.7986 | 572.03 | Marsman, Albert W.; van Walree, Cornelis A.; Havenith, Remco W. A.; Jenneskens, Leonardus W.; Lutz, Martin; Spek, Anthony L.; Lutz, Egbertus T. G.; van der Maas, Joop H. Infinite, undulating chains of intermolecularly hydrogen bonded (E,E)-2,2-dimethylcyclohexane-1,3-dione dioximes in the solid state. A single crystal X-ray, charge density distribution and spectroscopic study Journal of the Chemical Society, Perkin Transactions 2, 2000, 501 |
| 7213206 | CIF | C29 H37 N O3 | P 1 21/n 1 | 14.904; 10.051; 17.289 90; 98.12; 90 | 2563.9 | Busfield, W. Ken; Byriel, Karl A.; Grice, I. Darren; Jenkins, Ian D.; Lynch, Daniel E. The stereoselectivity of addition of benzoyloxyl radicals to trans-Δ2-octalin Journal of the Chemical Society, Perkin Transactions 2, 2000, 757 |
| 7213208 | CIF | C33 H31 Cl3 O4 | P 1 21/n 1 | 21.396; 5.699; 24.09 90; 94.45; 90 | 2929 | Utley, James H. P.; Smith, Carmen Z.; Motevalli, Majid Electro-organic reactions. Part 51.† Reactivity and stereochemical pathways for cathodically generated radical-anions of α,β-unsaturated ketones in aqueous media Journal of the Chemical Society, Perkin Transactions 2, 2000, 1053 |
| 7213209 | CIF | C32 H30 O4 | P 1 21 1 | 11.431; 6.047; 18.286 90; 96.69; 90 | 1255.4 | Utley, James H. P.; Smith, Carmen Z.; Motevalli, Majid Electro-organic reactions. Part 51.† Reactivity and stereochemical pathways for cathodically generated radical-anions of α,β-unsaturated ketones in aqueous media Journal of the Chemical Society, Perkin Transactions 2, 2000, 1053 |
| 7213210 | CIF | C16 H22 O S | P 21 21 21 | 5.73; 12.176; 20.499 90; 90; 90 | 1430.2 | Hoffmann, Reinhard W.; Koberstein, Ralf Chiral organometallic reagents. Part XXV.1 The stereochemistry of the ring opening of cyclopropylallyllithium compounds Journal of the Chemical Society, Perkin Transactions 2, 2000, 595 |
| 7213211 | CIF | C18 H15 N O | P 1 21/n 1 | 7.354; 12.314; 29.346 90; 90.488; 90 | 2657.4 | Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines Journal of the Chemical Society, Perkin Transactions 2, 2000, 1259 |
| 7213212 | CIF | C18 H15 N O | P 1 21/c 1 | 7.2831; 14.4511; 12.5032 90; 90.693; 90 | 1315.85 | Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines Journal of the Chemical Society, Perkin Transactions 2, 2000, 1259 |
| 7213213 | CIF | C18 H15 N O | P 1 21/c 1 | 7.3719; 14.455; 12.5837 90; 90.736; 90 | 1340.82 | Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines Journal of the Chemical Society, Perkin Transactions 2, 2000, 1259 |
| 7213214 | CIF | C17 H12 F N O | P 21 21 21 | 5.903; 7.652; 28.437 90; 90; 90 | 1284.5 | Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines Journal of the Chemical Society, Perkin Transactions 2, 2000, 1259 |
| 7213215 | CIF | C17 H12 Br N O | P c 21 b | 4.47; 12.388; 24.375 90; 90; 90 | 1349.8 | Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines Journal of the Chemical Society, Perkin Transactions 2, 2000, 1259 |
| 7213217 | CIF | C8 H20 N6 S2 | C 1 c 1 | 9.68; 7.87; 18.254 90; 95.27; 90 | 1384.7 | Yutronic, Nicolás; Manriquez, Victor; Jara, Paul; Witke, Oscar; Merchán, Juan; González, Guillermo Bis(thiourea)-1,2-diazabicyclo[2.2.2]octane. A new layered thiourea inclusion compound Journal of the Chemical Society, Perkin Transactions 2, 2000, 1757 |
| 7213218 | CIF | C28 H18 N2 O2 | P -1 | 9.093; 14.257; 8.389 93.42; 107.21; 84.84 | 1034 | Greci, Lucedio; Tommasi, Giampaolo; Astolfi, Paola; Petrucci, Rita; Marrosu, Giancarlo; Trazza, Antonio; Sgarabotto, Paolo; Righi, Lara Radical cations: reactions of 2-phenylindole with aromatic amines under anodic oxidation. β-Scission of an amino alkoxy radical Journal of the Chemical Society, Perkin Transactions 2, 2000, 1749 |
| 7213219 | CIF | C18 H27 N O2 S | P 1 21 1 | 9.392; 10.962; 17.823 90; 94.29; 90 | 1829.8 | Reutzel-Edens, Susan M.; Russell, Victoria A.; Yu, Lian Molecular basis for the stability relationships between homochiral and racemic crystals of tazofelone: a spectroscopic, crystallographic, and thermodynamic investigation Journal of the Chemical Society, Perkin Transactions 2, 2000, 913 |
| 7213220 | CIF | C18 H27 N O2 S | P 1 21/c 1 | 11.313; 17.082; 19.324 90; 101.11; 90 | 3664.4 | Reutzel-Edens, Susan M.; Russell, Victoria A.; Yu, Lian Molecular basis for the stability relationships between homochiral and racemic crystals of tazofelone: a spectroscopic, crystallographic, and thermodynamic investigation Journal of the Chemical Society, Perkin Transactions 2, 2000, 913 |
| 7213226 | CIF | C14 H10 N2 O4 | P 1 21/c 1 | 9.637; 15.251; 9.109 90; 96.86; 90 | 1329.2 | Liu, You-Cheng; Wang, Hong-Yi; Yang, Qing-Chuan; Mak, Thomas C. W. Mechanism of reduction of 1,1-diphenyl-2,2-dinitroethylene by 1-benzyl-1,4-dihydronicotinamide: transition state with partial diradical and partial covalent bonding character Journal of the Chemical Society, Perkin Transactions 2, 2000, 649 |
| 7213237 | CIF | C30 H25 O2 | P -1 | 7.327; 9.042; 18.534 88.09; 85.07; 68.07 | 1134.8 | Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223 |
| 7213238 | CIF | C29 H22.5 Cl0.5 O2 | P -1 | 7.31; 8.994; 18.454 89.19; 85.75; 68.23 | 1123.5 | Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223 |
| 7213239 | CIF | C30 H25 O2 | P -1 | 7.329; 9.044; 18.547 88.54; 85.33; 67.63 | 1133.1 | Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223 |
| 7213240 | CIF | C30 H25 O2 | P -1 | 7.368; 9.01; 18.522 88; 84.97; 67.94 | 1135.2 | Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223 |
| 7213241 | CIF | C30 H25 O2 | P -1 | 7.241; 9.011; 18.916 84.25; 87.25; 66.66 | 1127.5 | Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223 |
| 7213242 | CIF | C29.5 H24 O2.5 | P -1 | 7.31; 8.998; 18.464 89.98; 86.26; 67.5 | 1119.2 | Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223 |
| 7213243 | CIF | C35 H32 O2 | P -1 | 7.39; 13.637; 14.349 75.92; 81.64; 85.16 | 1385.9 | Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223 |
| 7213244 | CIF | C29 H22.5 Br0.5 O2 | P -1 | 7.3066; 8.9943; 18.4963 89.764; 85.946; 67.868 | 1122.82 | Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223 |
| 7213245 | CIF | C29 H22.5 N0.5 O3 | P -1 | 7.34; 8.982; 18.366 89.33; 86.14; 67.55 | 1116.4 | Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223 |
| 7213246 | CIF | C26 H20 O2 | P b c a | 7.39; 15.477; 33.858 90; 90; 90 | 3872.5 | Jetti, Ram K. R.; Xue, Feng; Mak, Thomas C. W.; Nangia, Ashwini 4-Tritylbenzoic acid. A molecular scaffold for wheel-and-axle host‒guest inclusion compounds with a supramolecular axis Journal of the Chemical Society, Perkin Transactions 2, 2000, 1223 |
| 7213248 | CIF | C31 H51 N5 O9 | P 1 21 1 | 10.08; 17.853; 10.185 90; 107.8; 90 | 1745.1 | Lapeña, Yolanda; Lopez, Pilar; Cativiela, Carlos; Kaptein, Bernard; Broxterman, Quirinus B.; Kamphuis, Johan; Mossel, Eric; Peggion, Cristina; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio Comparative conformational analysis of peptides based on the two Cα-tetrasubstituted, Cβ-branched, chiral α-amino acids (αMe)Dip and (αMe)Val † Journal of the Chemical Society, Perkin Transactions 2, 2000, 631 |
| 7213252 | CIF | C85.5 H108 B F4 N2 Na O8 P2 | P 1 21/c 1 | 27.739; 24.1268; 12.294 90; 92.051; 90 | 8222.5 | Baaden, Marc; Wipff, Georges; Yaftian, Mohamed Reza; Burgard, Michel; Matt, Dominique Cation coordination by calix[4]arenes bearing amide and/or phosphine oxide pendant groups: how many arms are needed to bind Li+ vs. Na+? A combined NMR and molecular dynamics study Journal of the Chemical Society, Perkin Transactions 2, 2000, 1315 |
| 7213255 | CIF | C9 H8 F N3 O5 | P 1 21/n 1 | 10.114; 4.824; 20.996 90; 93.6; 90 | 1022.4 | O’Hagan, David; Bilton, Clair; Howard, Judith A. K.; Knight, Lee; Tozer, David J. The preferred conformation of N-β-fluoroethylamides. Observation of the fluorine amide gauche effect Journal of the Chemical Society, Perkin Transactions 2, 2000, 605 |
| 7213256 | CIF | C9 H9 F N2 O3 | P n a 21 | 9.9569; 20.4211; 4.6421 90; 90; 90 | 943.88 | O’Hagan, David; Bilton, Clair; Howard, Judith A. K.; Knight, Lee; Tozer, David J. The preferred conformation of N-β-fluoroethylamides. Observation of the fluorine amide gauche effect Journal of the Chemical Society, Perkin Transactions 2, 2000, 605 |
| 7213266 | CIF | C8 H9 N O2 | P -1 | 6.855; 7.551; 14.622 80.66; 88.46; 87.17 | 745.78 | Pizzala, Helene; Carles, Micheline; Stone, William E. E.; Thevand, Andre Tautomerism in Schiff bases derived from 3-hydroxysalicylaldehyde. Combined X-ray diffraction, solution and solid state NMR study Journal of the Chemical Society, Perkin Transactions 2, 2000, 935 |
| 7213267 | CIF | C13 H10 N2 O4 | P -1 | 7.005; 7.18; 12.018 83.21; 79.16; 72.66 | 565.44 | Pizzala, Helene; Carles, Micheline; Stone, William E. E.; Thevand, Andre Tautomerism in Schiff bases derived from 3-hydroxysalicylaldehyde. Combined X-ray diffraction, solution and solid state NMR study Journal of the Chemical Society, Perkin Transactions 2, 2000, 935 |
| 7213268 | CIF | C15 H16 N2 O2 | P 1 21/c 1 | 10.246; 6.106; 20.863 90; 90.42; 90 | 1305.2 | Pizzala, Helene; Carles, Micheline; Stone, William E. E.; Thevand, Andre Tautomerism in Schiff bases derived from 3-hydroxysalicylaldehyde. Combined X-ray diffraction, solution and solid state NMR study Journal of the Chemical Society, Perkin Transactions 2, 2000, 935 |
| 7213273 | CIF | C26 H34 Ca Cl2 N6 O16 | P n a 21 | 23.1803; 10.1436; 14.6585 90; 90; 90 | 3446.7 | Szumna, Agnieszka; Gryko, Daniel T.; Jurczak, Janusz Calcium complexes of macrocyclic lactams: their structure and calcium induced conformational changes Journal of the Chemical Society, Perkin Transactions 2, 2000, 1553 |
| 7213281 | CIF | C10 H12 O2 | P 1 21/n 1 | 7.8726; 5.358; 18.8596 90; 93.633; 90 | 793.93 | Eckert-Maksić, Mirjana; Novak-Doumbouya, Nana; Kiralj, Rudolf; Kojić-Prodić, Biserka 7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study † Journal of the Chemical Society, Perkin Transactions 2, 2000, 1483 |
| 7213282 | CIF | C10 H12 O2 | P 1 21/a 1 | 6.517; 18.98; 6.754 90; 107.16; 90 | 798.2 | Eckert-Maksić, Mirjana; Novak-Doumbouya, Nana; Kiralj, Rudolf; Kojić-Prodić, Biserka 7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study † Journal of the Chemical Society, Perkin Transactions 2, 2000, 1483 |
| 7213288 | CIF | C8 Cl6 O2 S2 | P 1 21/a 1 | 7.341; 13.56; 7.471 90; 118.44; 90 | 653.9 | Skramstad, Jan; Lunde, Andreas; Hope, Håkon; Bjørnstad, Vidar; Frøyen, Paul Chlorinated thiophenes. Part 2. Trihalogenated hydroxythiophenes; preparation, reactions and tautomeric properties Journal of the Chemical Society, Perkin Transactions 2, 2000, 1453 |
| 7213289 | CIF | C27 H21 N3 | C 1 2/c 1 | 22.465; 8.017; 21.376 90; 100.1; 90 | 3790.2 | Greci, Lucedio; Tommasi, Giampaolo; Petrucci, Rita; Marrosu, Giancarlo; Trazza, Antonio; Sgarabotto, Paolo; Righi, Lara; Alberti, Angelo Oxidative trimerization of indole: on the formation of dications and radical cations by reaction of indole and nitrosobenzene in the presence of acids Journal of the Chemical Society, Perkin Transactions 2, 2000, 2337 |
| 7213292 | CIF | C9 H15 N6 O2 | P 1 21/c 1 | 9.6167; 14.6927; 16.5683 90; 94.11; 90 | 2335 | Daro, Nathalie; Sutter, Jean-Pascal; Pink, Maren; Kahn, (the late) Olivier Concomitant ferro- and antiferromagnetic interactions in an H-bonded molecular ribbon duplex Journal of the Chemical Society, Perkin Transactions 2, 2000, 1087 |
| 7213293 | CIF | C14 H14 N2 O2 | P 1 21 1 | 7.776; 5.832; 14.092 90; 97.65; 90 | 633.4 | Bhat, J. Ishwara; Clegg, William; Maskill, Howard; Elsegood, Mark R. J.; Menneer, Iain D.; Miatt, Peter C. N-Nitroso-N,O-dialkylhydroxylamines: preparation, structure, and mechanism of the hydronium ion catalysed solvolytic nitrous oxide extrusion reaction Journal of the Chemical Society, Perkin Transactions 2, 2000, 1435 |
| 7213294 | CIF | C41 H59 N7 O15 S2 | C 1 2 1 | 23.4127; 7.1091; 14.806 90; 108.146; 90 | 2341.8 | Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne Induced fit phenomena in clathrate structures of cephalosporins Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425 |
| 7213295 | CIF | C42 H58 N6 O15 S2 | C 1 2 1 | 23.471; 7.1215; 14.9304 90; 108.268; 90 | 2369.8 | Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne Induced fit phenomena in clathrate structures of cephalosporins Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425 |
| 7213296 | CIF | C42 H60 N8 O15 S2 | C 1 2 1 | 23.0227; 7.1467; 14.5544 90; 104.644; 90 | 2316.94 | Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne Induced fit phenomena in clathrate structures of cephalosporins Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425 |
| 7213297 | CIF | C42 H58 N6 O14.5 S2 | C 1 2 1 | 23.4584; 7.1179; 14.8922 90; 108.571; 90 | 2357.14 | Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne Induced fit phenomena in clathrate structures of cephalosporins Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425 |
| 7213298 | CIF | C44 H57 N6 O13.5 S2 | C 1 2 1 | 23.3855; 7.1965; 14.7588 90; 108.58; 90 | 2354.36 | Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne Induced fit phenomena in clathrate structures of cephalosporins Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425 |
| 7213299 | CIF | C42 H56 N6 O19 S2 | P 21 21 21 | 7.0902; 21.273; 31.004 90; 90; 90 | 4676.3 | Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne Induced fit phenomena in clathrate structures of cephalosporins Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425 |
| 7213300 | CIF | C42 H60 N6 O21 S2 | P 21 21 21 | 7.1079; 21.863; 32.306 90; 90; 90 | 5020.4 | Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne Induced fit phenomena in clathrate structures of cephalosporins Journal of the Chemical Society, Perkin Transactions 2, 2000, 1425 |
| 7213314 | CIF | C17 H25 N2 O2 | P 1 21/c 1 | 7.5297; 22.131; 9.9543 90; 105.622; 90 | 1597.5 | Nakatsuji, Shin’ichi; Ogawa, Yuya; Takeuchi, Soichi; Akutsu, Hiroki; Yamada, Jun-ichi; Naito, Akira; Sudo, Kyoko; Yasuoka, Noritake Novel photo-responsive organic spin systems: preparation and properties of norbornadienes and spiropyrans with TEMPO radical substituents Journal of the Chemical Society, Perkin Transactions 2, 2000, 1969 |
| 7213322 | CIF | C26 H32 B N | C 1 2/c 1 | 28.728; 9.713; 16.997 90; 105.95; 90 | 4560 | Albrecht, Karsten; Kaiser, Volker; Boese, Roland; Adams, Jörg; Kaufmann, Dieter E. Synthesis and properties of fluorescent organoboranes: triarylmethane-type dyes Journal of the Chemical Society, Perkin Transactions 2, 2000, 2153 |
| 7213323 | CIF | C26 H36 O2 S | P -1 | 6.804; 11.122; 15.139 70.85; 86.12; 79.57 | 1064.3 | Lomas, John S.; Vauthier, Edouard; Vaissermann, Jacqueline Trifluoroacetylation and ionic hydrogenation of [2-(3-alkoxythienyl)]di(1-adamantyl)methanols † Journal of the Chemical Society, Perkin Transactions 2, 2000, 1399 |
| 7213328 | CIF | C21 H20 Cl2 F N O | P 1 21/c 1 | 13.806; 14.761; 9.618 90; 92.77; 90 | 1957.8 | Ooms, Frédéric; Delvosal, Sébastien; Wouters, Johan; Durant, François; Dockendolf, Gisella; Van’t Land, Clinton; Glass, Thomas; Castagnoli, Jr, Neal; Van der Schyf, Cornelis J. Empirical and molecular modeling study of the pyridinium species RHPP+, an abundant and potentially neurotoxic metabolite of haloperidol Journal of the Chemical Society, Perkin Transactions 2, 2000, 1781 |
| 7213329 | CIF | C56 H58 Br2 O4 | C 1 2/c 1 | 25.7135; 9.5232; 19.8894 90; 105.57; 90 | 4691.68 | Krebs, Frederik C.; Jørgensen, Mikkel Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935 |
| 7213330 | CIF | C72 H87 N5 O8 | P -1 | 13.062; 13.325; 20.365 96.75; 93.04; 110.93 | 3270.4 | Krebs, Frederik C.; Jørgensen, Mikkel Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935 |
| 7213331 | CIF | C54 H69 N5 O8 | P -1 | 10.754; 12.014; 21.851 100.97; 96.83; 110.11 | 2550 | Krebs, Frederik C.; Jørgensen, Mikkel Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935 |
| 7213332 | CIF | C57 H66 Br2 Cl2 N2 O8 | C 1 2/c 1 | 24.817; 25.026; 17.854 90; 99.88; 90 | 10924 | Krebs, Frederik C.; Jørgensen, Mikkel Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935 |
| 7213333 | CIF | C53 H73 Br2 Cl2 N3 O8 | P 43 21 2 | 17.865; 17.865; 17.263 90; 90; 90 | 5509.6 | Krebs, Frederik C.; Jørgensen, Mikkel Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935 |
| 7213334 | CIF | C51.5 H70.5 Br2 Cl N2.5 O8 | P b c a | 17.394; 23.82; 27.882 90; 90; 90 | 11552 | Krebs, Frederik C.; Jørgensen, Mikkel Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935 |
| 7213335 | CIF | C42 H46 Br2 O8 | P 1 21/n 1 | 12.505; 24.822; 12.722 90; 94.8; 90 | 3935 | Krebs, Frederik C.; Jørgensen, Mikkel Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935 |
| 7213336 | CIF | C54 H56 N4 O8 | P 1 21/n 1 | 22.391; 13.024; 33.539 90; 97.64; 90 | 9694 | Krebs, Frederik C.; Jørgensen, Mikkel Calix[4]arene-5,17-dicarboxylic acids and their interactions with aliphatic amines. Part 2. A crystal engineering approach Journal of the Chemical Society, Perkin Transactions 2, 2000, 1935 |
| 7213337 | CIF | C13 H16 N O3 | P 21 21 21 | 7.9732; 10.1799; 15.57 90; 90; 90 | 1263.8 | Bottle, Steven E.; Gillies, Duncan G.; Hughes, David L.; Micallef, Aaron S.; Smirnov, Alex I.; Sutcliffe, Leslie H. Synthesis, single crystal X-ray structure and W-band (95 GHz) EPR spectroscopy of a new anionic isoindoline aminoxyl: synthesis and characterisation of some derivatives Journal of the Chemical Society, Perkin Transactions 2, 2000, 1285 |
| 7213346 | CIF | C14 H15 F6 N2 O3 P | P -1 | 7.5078; 10.7748; 11.3584 89.381; 72.055; 79.252 | 857.73 | Lindeman, Sergey V.; Bosch, Eric; Kochi, Jay K. Electrophilic aromatic nitrosation. Isolation and X-ray crystallography of the metastable NO+ complex with nitrosoarene Journal of the Chemical Society, Perkin Transactions 2, 2000, 1919 |
| 7213350 | CIF | C18 H25 N O6 S | P 21 21 21 | 17.527; 15.29; 6.912 90; 90; 90 | 1852.3 | Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid Journal of the Chemical Society, Perkin Transactions 2, 2000, 2121 |
| 7213351 | CIF | C18 H25 N O6 S | C 1 2 1 | 24.943; 7.053; 11.366 90; 103.39; 90 | 1945.2 | Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid Journal of the Chemical Society, Perkin Transactions 2, 2000, 2121 |
| 7213352 | CIF | C8 H10 Cl N O2 | P 21 21 21 | 7.261; 22.781; 5.438 90; 90; 90 | 899.5 | Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid Journal of the Chemical Society, Perkin Transactions 2, 2000, 2121 |
| 7213358 | CIF | C26 H16 Cl4 | P c c n | 15.9253; 15.9655; 17.882 90; 90; 90 | 4546.59 | Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115 |
| 7213359 | CIF | C26 H16 I4 | P 1 21/n 1 | 9.648; 16.605; 15.81 90; 97.61; 90 | 2510.5 | Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115 |
| 7213360 | CIF | C34 H26 Cl4 | P 21 21 21 | 8.635; 14.707; 22.891 90; 90; 90 | 2907 | Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115 |
| 7213361 | CIF | C34 H32 Br4 O2 | P 21 21 21 | 9.3337; 15.1835; 21.9443 90; 90; 90 | 3109.91 | Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115 |
| 7213362 | CIF | C38 H31 F4 | P -1 | 9.175; 9.522; 17.79 91.15; 97.65; 104.15 | 1491.4 | Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115 |
| 7213363 | CIF | C30 H30 O7 | P -1 | 10.343; 10.887; 13.918 103.65; 91.19; 117.64 | 1333.6 | Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds Journal of the Chemical Society, Perkin Transactions 2, 2000, 2115 |
| 7213371 | CIF | C20 H30 | C 1 2/c 1 | 9.2428; 9.0959; 18.4539 90; 103.634; 90 | 1507.7 | Rathore, Rajendra; Zhu, Chengjian; Lindeman, Sergey V.; Kochi, Jay K. Spontaneous oxidation of organic donors to their cation radicals using Brønsted acids. Identification of the elusive oxidant † Journal of the Chemical Society, Perkin Transactions 2, 2000, 1837 |
| 7213374 | CIF | C20 H22 S4 | P 1 21/c 1 | 15.489; 7.7878; 15.793 90; 101.341; 90 | 1867.84 | Lam, Yulin; Wah Wong, Ming; Huang, Hsing-Hua; Liang, Eping Rotational isomerism and crystal structures of 2,2′-diphenyl-2,2′-bi-1,3-dithianyl and 2,2′-diphenyl-2,2′-bi-1,3-dioxolanyl † Journal of the Chemical Society, Perkin Transactions 2, 2000, 2090 |
| 7213375 | CIF | C18 H18 O4 | P 1 21/n 1 | 6.0592; 6.9442; 17.666 90; 94.023; 90 | 741.49 | Lam, Yulin; Wah Wong, Ming; Huang, Hsing-Hua; Liang, Eping Rotational isomerism and crystal structures of 2,2′-diphenyl-2,2′-bi-1,3-dithianyl and 2,2′-diphenyl-2,2′-bi-1,3-dioxolanyl † Journal of the Chemical Society, Perkin Transactions 2, 2000, 2090 |
| 7213378 | CIF | C10 H8 N4 O2 | P -1 | 6.231; 8.198; 10.3 99.17; 95.29; 106.63 | 492.4 | Gowenlock, Brian G.; Maidment, Mark J.; Orrell, Keith G.; Šik, Vladimir; Mele, Giuseppe; Vasapollo, Giuseppe; Hursthouse, Michael B.; Abdul Malik, K. M. The solid- and solution-state structures of 2-nitrosopyridine and its 3- and 4-methyl derivatives Journal of the Chemical Society, Perkin Transactions 2, 2000, 2280 |
| 7213385 | CIF | C6 H4 N4 O4 S | P n a 21 | 16.318; 10.782; 10.295 90; 90; 90 | 1811.3 | Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents Journal of the Chemical Society, Perkin Transactions 2, 2000, 1798 |
| 7213386 | CIF | C8 H7 N3 O3 S | P -1 | 7.083; 7.309; 10.28 97.73; 108.7; 100.06 | 485.88 | Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents Journal of the Chemical Society, Perkin Transactions 2, 2000, 1798 |
| 7213387 | CIF | C7 H7 N3 O3 S | P 1 21/c 1 | 5.174; 10.727; 16.762 90; 94.22; 90 | 927.8 | Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents Journal of the Chemical Society, Perkin Transactions 2, 2000, 1798 |
| 7213388 | CIF | C6 H4 N4 O4 S | P 1 21/c 1 | 7.908; 14.572; 8.238 90; 106.59; 90 | 909.79 | Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents Journal of the Chemical Society, Perkin Transactions 2, 2000, 1798 |
| 7213389 | CIF | C10 H9 Fe N3 O2 S | P 1 21/n 1 | 5.984; 35.194; 10.795 90; 92.29; 90 | 2271.6 | Besenyei, Gábor; Párkányi, László; Foch, Isabella; Simándi, László I.; Kálmán, Alajos Crystallographic characterisation of arenesulfonyl azides. Structural and kinetic effects induced by ortho- and para-substituents Journal of the Chemical Society, Perkin Transactions 2, 2000, 1798 |
| 7213391 | CIF | C9 H7 N3 O S | P -1 | 6.6773; 8.191; 9.319 71.48; 79.503; 73.308 | 460.6 | Chowdhry, Mubarik M.; Mingos, D. Michael P.; White, Andrew J. P.; Williams, David J. 15N NMR and crystal structure studies of 5-(2-pyridylmethylene)pseudothiohydantoin;† dipolar dephasing experiments for establishing the preferred tautomer in the solid and solution states Journal of the Chemical Society, Perkin Transactions 2, 2000, 2265 |
| 7213396 | CIF | C48 H30 N2 O Se2 | P -1 | 12.638; 14.765; 10.037 94.23; 100.79; 108.72 | 1724.3 | Srinivasan, Alagar; Anand, Venkataramana Rao G.; Pushpan, Simi K.; Chandrashekar, Tavarekere K.; Sugiura, Ken-ichi; Sakata, Yoshiteru Core modified meso-aryl sapphyrins and rubyrins: structural and anion receptor properties Journal of the Chemical Society, Perkin Transactions 2, 2000, 1788 |
| 7213397 | CIF | C49 H31 Cl3 N2 S3 | P 1 21/n 1 | 12.66; 11.36; 29.16 90; 95.51; 90 | 4174 | Srinivasan, Alagar; Anand, Venkataramana Rao G.; Pushpan, Simi K.; Chandrashekar, Tavarekere K.; Sugiura, Ken-ichi; Sakata, Yoshiteru Core modified meso-aryl sapphyrins and rubyrins: structural and anion receptor properties Journal of the Chemical Society, Perkin Transactions 2, 2000, 1788 |
| 7213398 | CIF | C13 H18 Br N2 | P 1 21/c 1 | 20.8303; 18.8385; 28.3817 90; 152.539; 90 | 5135.9 | Claramunt, Rosa María; López, Concepción; García, María de los Angeles; Pierrot, Marcel; Giorgi, Michel; Elguero, José 3(5)-(1-Adamantyl)pyrazoles: chemistry and molecular structure † Journal of the Chemical Society, Perkin Transactions 2, 2000, 2049 |
| 7213402 | CIF | C20 H20 N2 O8 | P 1 21/n 1 | 8.982; 12.471; 9.086 90; 92.91; 90 | 1016.5 | Kujanpää, Jukka P.; Riddell, Frank G. Models for molecular motions within polymer chains. Part 1. A solid-state NMR study of hexane-1,6-diyl bis( p-nitrobenzoate) Journal of the Chemical Society, Perkin Transactions 2, 2000, 2225 |
| 7213414 | CIF | C6 H15 O5 P S | P 1 21/a 1 | 10.074; 8.357; 13.991 90; 108.46; 90 | 1117.3 | Olivato, Paulo R.; Filho, Rubens Ruiz; Zukerman-Schpector, Julio; Dal Colle, Maurizio; Distefano, Giuseppe Comparative spectroscopic and theoretical studies on the conformation of some α-diethoxyphosphoryl carbonyl compounds and their α-ethylsulfonyl analogues 1 Journal of the Chemical Society, Perkin Transactions 2, 2001, 97 |
| 7213415 | CIF | C41 H58 N7 O15.5 S2 | C 1 2 1 | 23.443; 7.0872; 14.896 90; 108.61; 90 | 2345.5 | Kemperman, Gerardus J.; de Gelder, René; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne Efficiency of cephalosporin complexation with aromatic compounds Journal of the Chemical Society, Perkin Transactions 2, 2001, 633 |
| 7213420 | CIF | C30 H24 O6 | P -1 | 13.7018; 14.3753; 14.4362 108.261; 107.53; 103.187 | 2406.02 | Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S. Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts Journal of the Chemical Society, Perkin Transactions 2, 2000, 2458 |
| 7213421 | CIF | C30 H18 N3 O9 | P -1 | 10.3402; 10.4427; 13.4887 87.854; 80.536; 64.23 | 1292.8 | Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S. Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts Journal of the Chemical Society, Perkin Transactions 2, 2000, 2458 |
| 7213422 | CIF | C30 H21 N3 O10 | P -1 | 8.8361; 10.4985; 15.1193 80.305; 85.321; 80.857 | 1362.79 | Pigge, F. Christopher; Ghasedi, Fatemeh; Zheng, Zhanmiao; Rath, Nigam P.; Nichols, Gary; Chickos, James S. Structural characterization of crystalline inclusion complexes formed from 1,3,5-triaroylbenzene derivatives—a new family of inclusion hosts Journal of the Chemical Society, Perkin Transactions 2, 2000, 2458 |
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