Crystallography Open Database
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COD ID ![]() |
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Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 4020593 | CIF | C14 H12 O2 Se | C 1 2/c 1 | 10.9213; 11.6525; 9.3047 90; 93.432; 90 | 1182 | Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity Journal of Organic Chemistry, 2005, 70, 9237-9247 |
| 4020594 | CIF | C14 H14 O2 Te2 | P 1 21/n 1 | 10.1688; 10.8693; 13.4716 90; 104.885; 90 | 1439.02 | Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity Journal of Organic Chemistry, 2005, 70, 9237-9247 |
| 4020595 | CIF | C14 H12 Cl2 Te2 | C 1 2/c 1 | 24.144; 8.0642; 8.0329 90; 97.67; 90 | 1550 | Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity Journal of Organic Chemistry, 2005, 70, 9237-9247 |
| 4020596 | CIF | C16 H18 O4 Te2 | C 1 2/c 1 | 26.645; 9.494; 18.848 90; 135.036; 90 | 3369.2 | Santosh K. Tripathi; Upali Patel; Dipankar Roy; Raghavan B. Sunoj; Harkesh B. Singh; Gotthelf Wolmershäuser; Ray J. Butcher o-Hydroxylmethylphenylchalcogens: Synthesis, Intramolecular Nonbonded Chalcogen···OH Interactions, and Glutathione Peroxidase-like Activity Journal of Organic Chemistry, 2005, 70, 9237-9247 |
| 4020597 | CIF | C17 H21 N O5 S | P 1 21 1 | 8.044; 8.412; 13.015 90; 92.62; 90 | 879.8 | José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes Journal of Organic Chemistry, 2005, 70, 8825-8834 |
| 4020598 | CIF | C17 H21 N O5 S | P 32 2 1 | 10.2987; 10.2987; 28.821 90; 90; 120 | 2647.4 | José L. García Ruano; Alberto Fraile; Ana M. Martín Castro; M. Rosario Martín The Role of the Sulfinyl Group on the Course of the Reactions of 3-p-Tolylsulfinylfuran-2(5H)-ones with Nitrones. Synthetic Uses of Cycloreversion Processes Journal of Organic Chemistry, 2005, 70, 8825-8834 |
| 4020599 | CIF | C39 H45 N O5 Si | C 1 2/c 1 | 51.13; 10.331; 13.379 90; 92.66; 90 | 7059 | Louis Morency; Louis Barriault Studies toward the Total Synthesis of Vinigrol. Synthesis of the Octalin Ring Journal of Organic Chemistry, 2005, 70, 8841-8853 |
| 4020600 | CIF | C31 H38 O6 | P -1 | 8.3015; 11.127; 15.551 90.438; 104.188; 104.02 | 1347.7 | Louis Morency; Louis Barriault Studies toward the Total Synthesis of Vinigrol. Synthesis of the Octalin Ring Journal of Organic Chemistry, 2005, 70, 8841-8853 |
| 4020601 | CIF | C24 H22 N4 O3 | P 1 21/c 1 | 8.5483; 11.9018; 20.47 90; 100.168; 90 | 2050 | Yat Fan Suen; Håkon Hope; Michael H. Nantz; Makhluf J. Haddadin; Mark J. Kurth A Novel Route to Fully Substituted 1H-Pyrazoles Journal of Organic Chemistry, 2005, 70, 8468-8471 |
| 4020602 | CIF | C21 H23 N O8 | P 1 21 1 | 7.687; 7.876; 16.673 90; 90; 90 | 1009.4 | Yanmei Dong; Rui Li; Jun Lu; Xuenong Xu; Xinyan Wang; Yuefei Hu An Efficient Kinetic Resolution of Racemic Betti Base Based on an Enantioselective N,O-Deketalization Journal of Organic Chemistry, 2005, 70, 8617-8620 |
| 4020603 | CIF | C10 H9 N O4 | P -1 | 10.0106; 10.4397; 11.6615 68.051; 67.541; 70.203 | 1017 | Liwen He; G. S. C. Srikanth; Steven L. Castle Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions Journal of Organic Chemistry, 2005, 70, 8140-8147 |
| 4020604 | CIF | C11 H11 N O5 | P 1 21/n 1 | 7.1832; 11.6551; 13.933 90; 100.988; 90 | 1145.1 | Liwen He; G. S. C. Srikanth; Steven L. Castle Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions Journal of Organic Chemistry, 2005, 70, 8140-8147 |
| 4020605 | CIF | C17 H16 N2 O4 | P 1 21/c 1 | 4.7423; 15.197; 21.35 90; 94.01; 90 | 1534.9 | Liwen He; G. S. C. Srikanth; Steven L. Castle Synthesis of β-Substituted α-Amino Acids via Lewis Acid Promoted Enantioselective Radical Conjugate Additions Journal of Organic Chemistry, 2005, 70, 8140-8147 |
| 4020606 | CIF | C26 H28 N2 O7 | P -1 | 8.071; 12.681; 13.639 65.64; 87.93; 74.49 | 1221 | Samaresh Jana; Chandrani Guin; Subhas Chandra Roy Radical Promoted Wagner-Meerwein-Type Rearrangement of Epoxides in Camphoric Systems Using a Ti(III) Radical Source Journal of Organic Chemistry, 2005, 70, 8252-8254 |
| 4020607 | CIF | C25 H23 N3 O9 | P -1 | 9.5136; 10.9065; 12.1105 74.844; 81.724; 85.942 | 1199.5 | Zhiming Zhao; Eileen Duesler; Canhui Wang; Hua Guo; Patrick S. Mariano Photocyclization Reactions of Cyclohexa- and Cyclopenta-Fused Pyridinium Salts. Factors Governing Regioselectivity Journal of Organic Chemistry, 2005, 70, 8508-8512 |
| 4020608 | CIF | C19 H20 Br N O5 | P 21 21 21 | 7.633; 8.8059; 27.8722 90; 90; 90 | 1873.4 | Zhiming Zhao; Eileen Duesler; Canhui Wang; Hua Guo; Patrick S. Mariano Photocyclization Reactions of Cyclohexa- and Cyclopenta-Fused Pyridinium Salts. Factors Governing Regioselectivity Journal of Organic Chemistry, 2005, 70, 8508-8512 |
| 4020609 | CIF | C30 H24 N4 O2 | P 1 21/c 1 | 12.8627; 12.6794; 14.6526 90; 99.338; 90 | 2358 | S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers Journal of Organic Chemistry, 2005, 70, 9304-9313 |
| 4020610 | CIF | C30 H24 N4 O2 | P n m a | 10.5574; 14.4038; 15.8173 90; 90; 90 | 2405.3 | S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers Journal of Organic Chemistry, 2005, 70, 9304-9313 |
| 4020611 | CIF | C30 H28 N4 O2 | P 1 21/n 1 | 13.9305; 11.3566; 16.3281 90; 108.007; 90 | 2456.6 | S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers Journal of Organic Chemistry, 2005, 70, 9304-9313 |
| 4020612 | CIF | C30 H28 N4 O2 | P 1 21/c 1 | 13.0277; 21.343; 8.96 90; 97.245; 90 | 2471.5 | S. Anitha Nagamani; Yasuo Norikane; Nobuyuki Tamaoki Photoinduced Hinge-Like Molecular Motion: Studies on Xanthene-Based Cyclic Azobenzene Dimers Journal of Organic Chemistry, 2005, 70, 9304-9313 |
| 4020613 | CIF | C17 H19 N O2 S | P 1 21/c 1 | 8.876; 15.261; 12.078 90; 98.481; 90 | 1618.2 | Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols Journal of Organic Chemistry, 2005, 70, 8148-8153 |
| 4020614 | CIF | C24 H27 N O2 S | P 1 21/n 1 | 11.106; 10.496; 18.526 90; 104.256; 90 | 2093.2 | Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols Journal of Organic Chemistry, 2005, 70, 8148-8153 |
| 4020615 | CIF | C18 H21 N O S | P 1 21/c 1 | 17.946; 9.44; 20.057 90; 95.968; 90 | 3379 | Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols Journal of Organic Chemistry, 2005, 70, 8148-8153 |
| 4020616 | CIF | C21 H25 N O S | P -1 | 6.246; 11.712; 12.776 93.91; 94.64; 93.54 | 927 | Toshiaki Murai; Hiroaki Sano; Hiroyasu Kawai; Hideo Aso; Fumitoshi Shibahara N-Thioacyl 1,3-Amino Alcohols: Synthesis via Ring-Opening of Oxiranes with Thioamide Dianions and Applications as Key Intermediates Leading to Stereochemically Defined 5,6-Dihydro-4H-1,3-oxazines and 1,3-Amino Alcohols Journal of Organic Chemistry, 2005, 70, 8148-8153 |
| 4020617 | CIF | C28 H29 N O3 Si | F d d 2 | 29.217; 54.471; 6.1768 90; 90; 90 | 9830.2 | Christopher J. T. Hyland; Louis S. Hegedus Boron-Mediated Stereoselective Syntheses of γ,γ-Disubstituted Allenamides Journal of Organic Chemistry, 2005, 70, 8628-8630 |
| 4020618 | CIF | C29 H31 Cl2 N O3 Si | P -1 | 9.9277; 11.5704; 13.2704 79.483; 87.858; 72.576 | 1429.7 | Christopher J. T. Hyland; Louis S. Hegedus Boron-Mediated Stereoselective Syntheses of γ,γ-Disubstituted Allenamides Journal of Organic Chemistry, 2005, 70, 8628-8630 |
| 4020619 | CIF | C24 H34 O5 | P -1 | 12.379; 12.63; 29.244 88.09; 86.149; 89.771 | 4559.6 | Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates Journal of Organic Chemistry, 2005, 70, 8154-8161 |
| 4020620 | CIF | C31 H39 N O7 | P -1 | 14.199; 15.373; 15.704 115.918; 90.979; 107.241 | 2901.4 | Leo A. Paquette; Zuosheng Liu; Charla Ramsey; Judith C. Gallucci Competitive Stereochemical Control Operative during Conrotatory Electrocyclization of Helically Equilibrating Diquinanyl-Substituted 1,3,5,7-Octatetraenyl Bisenolates Journal of Organic Chemistry, 2005, 70, 8154-8161 |
| 4020621 | CIF | C30 H26 O2 | P 1 21/c 1 | 12.74; 13.449; 14.248 90; 115.2; 90 | 2209.02 | Ken Kokubo; Takuya Koizumi; Kenji Harada; Eiko Mochizuki; Takumi Oshima Site Selectivity Switch in Lewis Acid Catalysis. Mechanism and Kinetic Simulation of Skeletal Rearrangement of Cyclobutene-Fused Homoquinones Journal of Organic Chemistry, 2005, 70, 7776-7779 |
| 4020622 | CIF | C30 H26 O2 | P 1 21/a 1 | 15.503; 8.505; 16.954 90; 100.37; 90 | 2198.97 | Ken Kokubo; Takuya Koizumi; Kenji Harada; Eiko Mochizuki; Takumi Oshima Site Selectivity Switch in Lewis Acid Catalysis. Mechanism and Kinetic Simulation of Skeletal Rearrangement of Cyclobutene-Fused Homoquinones Journal of Organic Chemistry, 2005, 70, 7776-7779 |
| 4020623 | CIF | C22 H16 O | C 1 2/c 1 | 22.229; 5.344; 27.376 90; 111.999; 90 | 3015 | Kimiaki Yamamura; Shizuka Kawabata; Takatomo Kimura; Kazuo Eda; Masao Hashimoto Novel Synthesis of Benzalacetone Analogues of Naphth[a]azulenes by Intramolecular Tropylium Ion-Mediated Furan Ring-Opening Reaction and X-ray Investigation of a Naphth[1,2-a]azulene Derivative Journal of Organic Chemistry, 2005, 70, 8902-8906 |
| 4020624 | CIF | C8 H4 Cl2 N2 S2 | P -1 | 5.699; 11.841; 16.163 72.666; 89.879; 88.608 | 1040.9 | Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials Journal of Organic Chemistry, 2005, 70, 9314-9325 |
| 4020625 | CIF | C10 H6 Cl3 N O2 S | P -1 | 5.6712; 8.6976; 12.308 96.964; 90.165; 90.255 | 602.61 | Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials Journal of Organic Chemistry, 2005, 70, 9314-9325 |
| 4020626 | CIF | C14 H12 Cl N3 O2 S2 | C 1 2/c 1 | 13.913; 8.713; 26.063 90; 102.622; 90 | 3083 | Sonia Macho; Daniel Miguel; Teresa Gómez; Teresa Rodríguez; Tomás Torroba From Cyclopentanone Oximes to Bis[1,2,3]dithiazolo-s-indacenes, Cyclopenta[c][1,2]thiazine, Pentathiepino-, Tetrathiino-, and Thienocyclopenta[1,2,3]dithiazoles as a Rich Source of New Materials Journal of Organic Chemistry, 2005, 70, 9314-9325 |
| 4020627 | CIF | C18 H18 N2 O3 | P 1 21/n 1 | 8.1728; 17.7129; 11.0657 90; 101.171; 90 | 1571.56 | Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo Fast and Stable Photochromic Oxazines Journal of Organic Chemistry, 2005, 70, 8180-8189 |
| 4020628 | CIF | C39 H61 N3 O6 | C 1 2/c 1 | 37.174; 9.267; 22.8271 90; 103.27; 90 | 7653.9 | Massimiliano Tomasulo; Salvatore Sortino; Andrew J. P. White; Françisco M. Raymo Fast and Stable Photochromic Oxazines Journal of Organic Chemistry, 2005, 70, 8180-8189 |
| 4020629 | CIF | C24 H18 | P -1 | 9.8838; 10.5056; 10.8938 117.681; 99.163; 108.395 | 885.3 | Li-Xiong Shao; Min Shi Facile Synthesis of 2-Alkynyl Buta-1,3-dienes via Sonogashira Cross-Coupling Methodology Journal of Organic Chemistry, 2005, 70, 8635-8637 |
| 4020630 | CIF | C13 H11 F2 N3 O2 S | P 1 21/c 1 | 14.4972; 8.1056; 10.8247 90; 95.142; 90 | 1266.88 | Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine Journal of Organic Chemistry, 2005, 70, 9377-9381 |
| 4020631 | CIF | C25 H19 F2 N3 O2 S | P b c a | 18.7318; 9.9214; 23.582 90; 90; 90 | 4382.61 | Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine Journal of Organic Chemistry, 2005, 70, 9377-9381 |
| 4020632 | CIF | C14 H13 F2 N3 O2 S | P -1 | 7.7158; 9.1; 10.1603 94.951; 99.041; 97.375 | 694.56 | Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine Journal of Organic Chemistry, 2005, 70, 9377-9381 |
| 4020633 | CIF | C14 H13 F2 N3 O2 S | P 1 21/c 1 | 8.3219; 15.8421; 11.3786 90; 109.429; 90 | 1414.69 | Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine Journal of Organic Chemistry, 2005, 70, 9377-9381 |
| 4020634 | CIF | C14 H13 F2 N3 O2 S | P -1 | 10.1943; 10.5803; 14.7937 105.942; 103.247; 105.64 | 1396 | Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine Journal of Organic Chemistry, 2005, 70, 9377-9381 |
| 4020635 | CIF | C15 H15 F2 N3 O2 S | P b c n | 21.3729; 9.7107; 14.4801 90; 90; 90 | 3005.3 | Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine Journal of Organic Chemistry, 2005, 70, 9377-9381 |
| 4020636 | CIF | C16 H17 F2 N3 O2 S | P 1 21/c 1 | 13.1516; 9.8626; 13.2963 90; 114.265; 90 | 1572.28 | Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine Journal of Organic Chemistry, 2005, 70, 9377-9381 |
| 4020637 | CIF | C12 H11 Br O2 | P 1 21 1 | 5.589; 9.069; 11.255 90; 92.84; 90 | 569.8 | Weiqing Yang; Deju Shang; Yanling Liu; Ying Du; Xiaoming Feng Highly Enantioselective Synthesis of 2,6-Disubstituted and 2,2,6-Trisubstituted Dihydropyrones: A One-Step Synthesis of (R)-(+)-Hepialone and Its Analogues Journal of Organic Chemistry, 2005, 70, 8533-8537 |
| 4020638 | CIF | C21 H23 N3 O | P 1 21/c 1 | 8.6015; 19.6864; 10.4409 90; 98.94; 90 | 1746.5 | Peruncheralathan, S.; Yadav, A. K.; Ila, H.; Junjappa, H. Highly Regioselective Synthesis of 1-Aryl-3 (or 5)-alkyl/aryl-5 (or 3)-(N-cycloamino)pyrazoles Journal of Organic Chemistry, 2005, 70, 9644-9647 |
| 4020639 | CIF | C21 H23 N3 O | P 21 21 21 | 6.0884; 10.5868; 26.996 90; 90; 90 | 1740.1 | Peruncheralathan, S.; Yadav, A. K.; Ila, H.; Junjappa, H. Highly Regioselective Synthesis of 1-Aryl-3 (or 5)-alkyl/aryl-5 (or 3)-(N-cycloamino)pyrazoles Journal of Organic Chemistry, 2005, 70, 9644-9647 |
| 4020640 | CIF | C49 H62 O10 Si2 | P 21 21 21 | 8.4077; 22.863; 24.921 90; 90; 90 | 4790.4 | William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke Halichondrin B: Synthesis of the C1-C22 Subunit Journal of Organic Chemistry, 2005, 70, 9382-9398 |
| 4020641 | CIF | C26 H44 O9 S Si | C 1 2 1 | 26.2553; 11.3176; 11.8892 90; 112.159; 90 | 3271.9 | William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke Halichondrin B: Synthesis of the C1-C22 Subunit Journal of Organic Chemistry, 2005, 70, 9382-9398 |
| 4020642 | CIF | C28 H33 N3 | P 21 21 21 | 10.1911; 11.815; 19.571 90; 90; 90 | 2356.6 | José M. Concellón; Pablo L. Bernad; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz Selective Ring-Opening of Nonactivated Amino Aziridines by Thiols and Unusual Nucleophilic Substitution of a Dibenzylamino Group Journal of Organic Chemistry, 2005, 70, 9411-9416 |
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