Crystallography Open Database
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| 1506571 | CIF | C16 H26 O3 | P 1 21/n 1 | 11.262; 6.1691; 21.598 90; 96.62; 90 | 1490.5 | Aggarwal, Varinder K.; Patin, Amaury; Tisserand, Steve Highly diastereoselective Diels-Alder reactions of Baylis-Hillman adducts. Organic letters, 2005, 7, 2555-2557 |
| 1506572 | CIF | C12 H19 N O4 | I 1 2/a 1 | 10.687; 7.678; 28.81 90; 96.29; 90 | 2349.8 | Giorgi, Giorgio; Miranda, Sonia; López-Alvarado, Pilar; Avendaño, Carmen; Rodriguez, Jean; Menéndez, J Carlos Unique Michael addition-initiated domino reaction for the stereoselective synthesis of functionalized macrolactones from alpha-nitroketones in water. Organic letters, 2005, 7, 2197-2200 |
| 1506573 | CIF | C18 H25 Br N2 O3 | P 1 21 1 | 13.274; 12.007; 12.039 90; 94.65; 90 | 1912.5 | Sibi, Mukund P.; Ma, Zhihua; Itoh, Kennosuke; Prabagaran, Narayanasamy; Jasperse, Craig P. Enantioselective cycloadditions with alpha,beta-disubstituted acrylimides. Organic letters, 2005, 7, 2349-2352 |
| 1506574 | CIF | C19 H25 Br N2 O3 | P 1 21 1 | 9.6042; 11.448; 17.97 90; 91.28; 90 | 1975.3 | Sibi, Mukund P.; Ma, Zhihua; Itoh, Kennosuke; Prabagaran, Narayanasamy; Jasperse, Craig P. Enantioselective cycloadditions with alpha,beta-disubstituted acrylimides. Organic letters, 2005, 7, 2349-2352 |
| 1506575 | CIF | C14 H18 Cl2 F5 O2 P2 Rh | P 21 21 21 | 12.335; 19.218; 8.483 90; 90; 90 | 2010.9 | Kashiwabara, Taigo; Kataoka, Kyoko; Hua, Ruimao; Shimada, Shigeru; Tanaka, Masato CO-retentive addition reactions of fluorinated acid chlorides to alkynes. Organic letters, 2005, 7, 2241-2244 |
| 1506576 | CIF | C16 H21 Cl O2 | P 1 21/n 1 | 11.7815; 10.3316; 12.8152 90; 114.146; 90 | 1423.41 | Harmata, Michael; Lee, Dong Reyoul; Barnes, Charles L. Stereospecific synthesis of dienones via a torquoselective retro-Nazarov reaction. Organic letters, 2005, 7, 1881-1883 |
| 1506577 | CIF | C17 H23 Cl O2 | P 1 21/n 1 | 7.5148; 21.084; 10.2821 90; 108.583; 90 | 1544.2 | Harmata, Michael; Lee, Dong Reyoul; Barnes, Charles L. Stereospecific synthesis of dienones via a torquoselective retro-Nazarov reaction. Organic letters, 2005, 7, 1881-1883 |
| 1506578 | CIF | C25 H38 O2 Si | P -1 | 6.5285; 10.708; 16.894 101.409; 100.481; 94.819 | 1129.5 | Zimmerman, Howard E.; Cheng, Jie Control of proton transfer: intramolecular vs intermolecular. Organic letters, 2005, 7, 2595-2597 |
| 1506579 | CIF | C17 H25 N O9 | P -1 | 7.724; 8.59; 14.83 82.446; 77.047; 77.608 | 933 | Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals. Organic letters, 2005, 7, 3167-3170 |
| 1506580 | CIF | C18 H27 N O9 | P -1 | 8.978; 12.641; 18.581 80.985; 88.934; 87.825 | 2081.1 | Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals. Organic letters, 2005, 7, 3167-3170 |
| 1506581 | CIF | C23 H29 N O7 | P -1 | 8.672; 9.175; 13.996 83.3; 76.978; 81.591 | 1069.2 | Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals. Organic letters, 2005, 7, 3167-3170 |
| 1506582 | CIF | C20 H23 N O8 | P -1 | 8.4839; 11.9599; 19.058 74.294; 89.534; 89.004 | 1861.3 | Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals. Organic letters, 2005, 7, 3167-3170 |
| 1506583 | CIF | C23 H29 N O7 | P 1 21/n 1 | 10.5188; 14.2466; 14.9179 90; 108.088; 90 | 2125.1 | Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals. Organic letters, 2005, 7, 3167-3170 |
| 1506584 | CIF | C22 H28 N2 O | P 1 21/c 1 | 14.9026; 16.6125; 7.8304 90; 94.235; 90 | 1933.3 | Movassaghi, Mohammad; Schmidt, Michael A. N-heterocyclic carbene-catalyzed amidation of unactivated esters with amino alcohols. Organic letters, 2005, 7, 2453-2456 |
| 1506585 | CIF | C22 H19 Cl | P 1 21 1 | 9.871; 10.243; 16.997 90; 90.397; 90 | 1718.5 | Kabalka, George W.; Yao, Min-Liang; Borella, Scott; Wu, Zhong-Zhi Substitution of benzylic hydroxyl groups with vinyl moieties using vinylboron dihalides. Organic letters, 2005, 7, 2865-2867 |
| 1506586 | CIF | C21 H13 F7 N2 O2 S | P 21 21 21 | 6.2725; 10.1448; 31.1819 90; 90; 90 | 1984.21 | Carreño, M Carmen; García, Isabel; Ribagorda, María; Merino, Estíbaliz; Pieraccini, Silvia; Spada, Gian Piero Enantiopure sulfinyl azobenzenes as chiroptical switches. Organic letters, 2005, 7, 2869-2872 |
| 1506587 | CIF | C18 H30 O6 | P b c a | 11.739; 9.94; 31.993 90; 90; 90 | 3733.12 | Denekamp, C.; Gottlieb, L.; Tamiri, T.; Tsoglin, A.; Shilav, R.; Kapon, M. Two separable conformers of TATP and analogues exist at room temperature. Organic letters, 2005, 7, 2461-2464 |
| 1506588 | CIF | C23 H24 N2 O | P -1 | 10.937; 11.046; 16.161 88.315; 79.184; 88.986 | 1916.8 | Clayden, Jonathan; Turner, Hazel; Pickworth, Mark; Adler, Thomas Ring-selective functionalization of N,N'-diarylureas by regioselective N-alkylation and directed ortho metalation. Organic letters, 2005, 7, 3147-3150 |
| 1506589 | CIF | C31 H54 O3 | P 21 21 2 | 13.118; 31.435; 7.245 90; 90; 90 | 2987.6 | Cai, Xiang-Hai; Luo, Xiao-Dong; Zhou, Jun; Hao, Xiao-Jiang Compound representatives of a new type of triterpenoid from Aglaia odorata. Organic letters, 2005, 7, 2877-2879 |
| 1506590 | CIF | C53 H53 Cl O4 P2 Pd Si2 | P 1 21 1 | 15.6736; 11.2374; 28.466 90; 103.342; 90 | 4878.4 | Ogasawara, Masamichi; Ngo, Helen L.; Sakamoto, Takeshi; Takahashi, Tamotsu; Lin, Wenbin Applications of 4,4'-(Me3Si)2-BINAP in transition-metal-catalyzed asymmetric carbon-carbon bond-forming reactions. Organic letters, 2005, 7, 2881-2884 |
| 1506591 | CIF | C19 H3 F15 O Si | P -1 | 10.692; 11.712; 16.162 91.492; 99.888; 99.806 | 1961.5 | Dilman, Alexander D.; Belyakov, Pavel A.; Korlyukov, Alexander A.; Struchkova, Marina I.; Tartakovsky, Vladimir A. Synthesis of pentafluorophenylmethylamines via silicon Mannich reaction. Organic letters, 2005, 7, 2913-2915 |
| 1506592 | CIF | C17 H14 F5 N O | P 21 21 21 | 6.1898; 13.115; 18.506 90; 90; 90 | 1502.3 | Dilman, Alexander D.; Belyakov, Pavel A.; Korlyukov, Alexander A.; Struchkova, Marina I.; Tartakovsky, Vladimir A. Synthesis of pentafluorophenylmethylamines via silicon Mannich reaction. Organic letters, 2005, 7, 2913-2915 |
| 1506593 | CIF | C17 H26 O4 | C 1 2/c 1 | 16.846; 18.842; 11.732 90; 121.761; 90 | 3166 | Li, Wei-Dong Z; Gao, Zhang-Hua A novel stereocontrolled approach to eudesmanolides: total synthesis of (+/-)-gallicadiol and (+/-)-isogallicadiol. Organic letters, 2005, 7, 2917-2920 |
| 1506594 | CIF | C31 H53 B F4 I O6 | P -1 | 9.757; 10.998; 16.41 98.73; 91.47; 101.8 | 1701 | Ochiai, Masahito; Suefuji, Takashi; Miyamoto, Kazunori; Shiro, Motoo Effects of complexation with 18-crown-6 on the hypernucleofugality of phenyl-lambda3-iodanyl groups. Synthesis of vinyl-lambda3-iodane.18-crown-6 complex. Organic letters, 2005, 7, 2893-2896 |
| 1506595 | CIF | C46 H50 N2 Si | P -1 | 7.8623; 15.1731; 17.1191 74.7278; 85.9386; 84.9098 | 1959.95 | Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G. Synthesis and characterization of electron-deficient pentacenes. Organic letters, 2005, 7, 3163-3166 |
| 1506596 | CIF | C48 H50 N4 Si2 | C 1 2/c 1 | 25.6777; 7.359; 22.1035 90; 97.9757; 90 | 4136.32 | Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G. Synthesis and characterization of electron-deficient pentacenes. Organic letters, 2005, 7, 3163-3166 |
| 1506597 | CIF | C44 H52 Br2 Si2 | P -1 | 9.1268; 13.829; 16.6202 72.3531; 83.9322; 87.7702 | 1987.75 | Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G. Synthesis and characterization of electron-deficient pentacenes. Organic letters, 2005, 7, 3163-3166 |
| 1506598 | CIF | C44 H50 F4 Si2 | P -1 | 7.5485; 7.7478; 16.8801 89.4411; 78.6534; 87.0802 | 966.67 | Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G. Synthesis and characterization of electron-deficient pentacenes. Organic letters, 2005, 7, 3163-3166 |
| 1506599 | CIF | C44 H46 F8 Si2 | P -1 | 7.7182; 15.5451; 16.8752 102.247; 92.6664; 91.5455 | 1975.07 | Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G. Synthesis and characterization of electron-deficient pentacenes. Organic letters, 2005, 7, 3163-3166 |
| 1506600 | CIF | C44 H50 Br4 Si2 | P 1 21/c 1 | 8.675; 17.632; 14.657 90; 105.824; 90 | 2156.94 | Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G. Synthesis and characterization of electron-deficient pentacenes. Organic letters, 2005, 7, 3163-3166 |
| 1506601 | CIF | C10 H15 N O4 | P 21 21 21 | 7.5381; 8.2908; 17.803 90; 90; 90 | 1112.6 | Reddy, Leleti Rajender; Saravanan, P.; Fournier, Jean-François; Subba Reddy, B. V.; Corey, E. J. Simple enantiospecific syntheses of the C(2)-diastereomers of omuralide and 3-methylomuralide. Organic letters, 2005, 7, 2703-2705 |
| 1506602 | CIF | C27 H30 O7 S | P 21 21 21 | 6.4186; 11.8863; 31.835 90; 90; 90 | 2428.8 | Makosza, Mieczysław; Barbasiewicz, Michał; Krajewski, Dariusz Diastereoselective synthesis of tetrahydrofurans via reaction of gamma,delta-epoxycarbanions with aldehydes. Organic letters, 2005, 7, 2945-2948 |
| 1506603 | CIF | C27 H30 O7 S | P 21 21 21 | 6.0067; 11.6597; 35.632 90; 90; 90 | 2495.5 | Makosza, Mieczysław; Barbasiewicz, Michał; Krajewski, Dariusz Diastereoselective synthesis of tetrahydrofurans via reaction of gamma,delta-epoxycarbanions with aldehydes. Organic letters, 2005, 7, 2945-2948 |
| 1506604 | CIF | C23 H19 Br O3 S | C 1 2/c 1 | 22.936; 9.075; 21.087 90; 111.338; 90 | 4088.26 | Yamaguchi, Torahiko; Yamamoto, Yohsuke; Fujiwara, Yoshihisa; Tanimoto, Yoshifumi Evidence for a transition state model compound of in-plane vinylic SN2 reaction. Organic letters, 2005, 7, 2739-2742 |
| 1506605 | CIF | C57 H38 N4 Zn | P 1 21/a 1 | 14.1517; 11.8995; 24.3178 90; 92.786; 90 | 4090.23 | Cammidge, Andrew N.; Scaife, Peter J.; Berber, Gûlen; Hughes, David L. Cofacial porphyrin-ferrocene dyads and a new class of conjugated porphyrin. Organic letters, 2005, 7, 3413-3416 |
| 1506606 | CIF | C14 H16 O6 | P 21 21 21 | 7.566; 12.748; 13.632 90; 90; 90 | 1314.8 | Koo, Bonsuk; McDonald, Frank E. Synthesis of the branched C-glycoside substructure of altromycin B. Organic letters, 2005, 7, 3621-3624 |
| 1506607 | CIF | C16 H22 O7 | P 21 21 21 | 8.2807; 12.6741; 15.0669 90; 90; 90 | 1581.28 | Koo, Bonsuk; McDonald, Frank E. Synthesis of the branched C-glycoside substructure of altromycin B. Organic letters, 2005, 7, 3621-3624 |
| 1506608 | CIF | C20 H33 F6 N5 Ni O9 S2 | P 1 21/c 1 | 8.7351; 18.9978; 18.1131 90; 95.539; 90 | 2991.8 | Boiocchi, Massimo; Fabbrizzi, Luigi; Foti, Francesco; Monzani, Enrico; Poggi, Antonio Dramatically enhanced carbon acidity of the nitrobenzyl fragment in a nickel(II) scorpionate complex. Organic letters, 2005, 7, 3417-3420 |
| 1506609 | CIF | C14 H14 I N O | P 1 21 1 | 7.1606; 8.5952; 11.1713 90; 103.787; 90 | 667.748 | King, H. Dalton; Meng, Zhaoxing; Denhart, Derek; Mattson, Ronald; Kimura, Roy; Wu, Dedong; Gao, Qi; Macor, John E. Enantioselective synthesis of a highly potent selective serotonin reuptake inhibitor. An application of imidazolidinone catalysis to the alkylation of indoles with an alpha,beta-disubstituted alpha,beta-unsaturated aldehyde. Organic letters, 2005, 7, 3437-3440 |
| 1506610 | CIF | C17 H22 Cl N3 | P 21 21 21 | 9.0617; 9.9837; 18.1625 90; 90; 90 | 1643.15 | King, H. Dalton; Meng, Zhaoxing; Denhart, Derek; Mattson, Ronald; Kimura, Roy; Wu, Dedong; Gao, Qi; Macor, John E. Enantioselective synthesis of a highly potent selective serotonin reuptake inhibitor. An application of imidazolidinone catalysis to the alkylation of indoles with an alpha,beta-disubstituted alpha,beta-unsaturated aldehyde. Organic letters, 2005, 7, 3437-3440 |
| 1506611 | CIF | C23 H23 Br O5 | P 1 21 1 | 10.0462; 5.387; 19.6191 90; 100.504; 90 | 1043.97 | Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A Convergent synthesis of a complex oxime library using chemical domain shuffling. Organic letters, 2005, 7, 2751-2754 |
| 1506612 | CIF | C15 H17 Cl2 N O5 | P 1 21/c 1 | 13.2845; 7.8086; 15.4619 90; 101.82; 90 | 1569.91 | Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A Convergent synthesis of a complex oxime library using chemical domain shuffling. Organic letters, 2005, 7, 2751-2754 |
| 1506613 | CIF | C16 H15 N3 O5 | P 21 21 21 | 7.2933; 8.2345; 24.418 90; 90; 90 | 1466.5 | Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A Convergent synthesis of a complex oxime library using chemical domain shuffling. Organic letters, 2005, 7, 2751-2754 |
| 1506614 | CIF | C15 H23 N O S2 | P 1 21 1 | 10.616; 6.7014; 10.72 90; 98.568; 90 | 754.1 | Smith, 3rd, Amos B; Kim, Dae-Shik Total synthesis of the neotropical poison-frog alkaloid (-)-205B. Organic letters, 2005, 7, 3247-3250 |
| 1506615 | CIF | C20 H23 N O3 | P 1 21/n 1 | 10.3309; 9.9971; 16.1798 90; 93.954; 90 | 1667.1 | MacKay, James A.; Bishop, Raynauld L.; Rawal, Viresh H. Rapid synthesis of the N-methylwelwitindolinone skeleton. Organic letters, 2005, 7, 3421-3424 |
| 1506616 | CIF | C20 H21 N O5 S | P 1 21/c 1 | 11.8337; 17.2263; 9.9628 90; 106.88; 90 | 1943.4 | Shi, Yong-Ling; Shi, Min DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes. Organic letters, 2005, 7, 3057-3060 |
| 1506617 | CIF | C20 H21 N O5 S | P b c a | 15.9518; 12.6973; 19.0989 90; 90; 90 | 3868.4 | Shi, Yong-Ling; Shi, Min DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes. Organic letters, 2005, 7, 3057-3060 |
| 1506618 | CIF | C25 H36 O12 | P 1 21 1 | 6.1618; 32.2387; 13.1435 90; 90.552; 90 | 2610.81 | Harding, Wayne W.; Tidgewell, Kevin; Schmidt, Matthew; Shah, Kushal; Dersch, Christina M.; Snyder, John; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E. Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum. Organic letters, 2005, 7, 3017-3020 |
| 1506619 | CIF | C28 H28 Cl2 O8 | P 21 21 21 | 6.3731; 18.988; 21.365 90; 90; 90 | 2585.4 | Harding, Wayne W.; Tidgewell, Kevin; Schmidt, Matthew; Shah, Kushal; Dersch, Christina M.; Snyder, John; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E. Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum. Organic letters, 2005, 7, 3017-3020 |
| 1506620 | CIF | C15 H23 N O | C 1 2 1 | 16.412; 5.944; 14.762 90; 95.14; 90 | 1434.3 | Bilke, Julia Luzia; Dzuganova, Monika; Fröhlich, Roland; Würthwein, Ernst-Ulrich Diastereoselective one-step synthesis of functionalized cis-aziridinyl alcohols from oxiranyl carbaldimines. Organic letters, 2005, 7, 3267-3270 |
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