Crystallography Open Database
Search results
Result: there are 4028 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching volume of publication is 3
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1507506 | CIF | C21 H26 N2 O2 | P 65 | 10.0689; 10.0689; 30.962 90; 90; 120 | 2718.5 | Myers, Andrew G.; Barbay, Joseph K. On the Inherent Instability of α-Amino α‘-Fluoro Ketones. Evidence for Their Transformation to Reactive Oxyvinyliminium Ion Intermediates Organic Letters, 2001, 3, 425 |
| 1507507 | CIF | C25 H15 F12 N O Se | P 1 21/n 1 | 9.701; 15.335; 16.841 90; 101.446; 90 | 2455.52 | Kano, Naokazu; Daicho, Yuya; Nakanishi, Nobuhito; Kawashima, Takayuki Synthesis, Crystal Structure, and Thermolysis of the First Tetracoordinate 1λ4,2-Selenazetidines: Aziridine Formation Reaction from a Four-Membered Heterocycle Bearing Highly Coordinate Selenium Organic Letters, 2001, 3, 691 |
| 1507508 | CIF | C15 H18 O4 | P -1 | 11.471; 14.158; 17.121 73.02; 89.26; 89.44 | 2659.1 | Ranganathan, Subramania; Muraleedharan, K. M.; Rao, CH. Chandrashekhar; Vairamani, M.; Karle, Isabella L. One-Step Transformation of Tricyclopentabenzene (Trindane, C15H18) to Bicyclo(10.3.0)pentadec-1(12)ene- 2,6,7,11-tetrone (C15H18O4) and Its Aldol Product, 12-Hydroxy-16-oxatetracyclo(10.3.1.0.1,507,11)hexadec-7(11)ene-2,6-dione (C15H18O4)⊥ Organic Letters, 2001, 3, 2447 |
| 1507509 | CIF | C12 H10 S2 | P 21 21 21 | 23.455; 8.073; 5.524 90; 90; 90 | 1046 | Shimizu, Toshio; Isono, Hiromi; Yasui, Masanori; Iwasaki, Fujiko; Kamigata, Nobumasa Solid State Optical Activity of Dichalcogenides: Isolation by Chiral Crystallization and Determination of Absolute Configuration Organic Letters, 2001, 3, 3639 |
| 1507510 | CIF | C13 H14 Br Cl O3 | P 1 21 1 | 9.0192; 4.9332; 15.1987 90; 106.981; 90 | 646.76 | Evans, David A.; Burch, Jason D. Asymmetric Synthesis of the Chlorocyclopropane-Containing Callipeltoside A Side Chain Organic Letters, 2001, 3, 503 |
| 1507511 | CIF | C28 H32 N2 O3 | P 1 21/c 1 | 9.3178; 26.18; 9.0683 90; 90.272; 90 | 2212.1 | Nelsen, Stephen F.; Li, Gaoquan; Konradsson, Asgeir Twist-Dependent Electronic Coupling in an Organic Intervalence Radical Cation Organic Letters, 2001, 3, 1583 |
| 1507512 | CIF | C24 H25 Br2 O6 | P 1 21 1 | 9.8354; 9.7459; 12.7953 90; 92.642; 90 | 1225.2 | Hu, Yongbo; Li, Chaomin; Kulkarni, Bheemashankar A.; Strobel, Gary; Lobkovsky, Emil; Torczynski, Richard M.; Porco, John A. Exploring Chemical Diversity of Epoxyquinoid Natural Products: Synthesis and Biological Activity of (−)-Jesterone and Related Molecules Organic Letters, 2001, 3, 1649 |
| 1507513 | CIF | C17 H30 O4 | P -1 | 8.653; 10.035; 12.381 102.262; 110.021; 103.18 | 932.6 | de Armas, Pedro; García-Tellado, Fernando; Marrero-Tellado, José J.; Tejedor, David; Maestro, Miguel A.; Gonzalez-Platas, Javier Alkynoates as a Source of Reactive Alkylinides for Aldehyde Addition Reactions Organic Letters, 2001, 3, 1905 |
| 1507514 | CIF | C15 H12 N2 S5 | P 1 21/c 1 | 19.646; 5.849; 29.643 90; 101.67; 90 | 3335.8 | Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate Organic Letters, 2001, 3, 1941 |
| 1507515 | CIF | C9 H7 N S4 | C 1 2/c 1 | 12.996; 7.934; 22.205 90; 109.62; 90 | 2156.6 | Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate Organic Letters, 2001, 3, 1941 |
| 1507516 | CIF | C70 H100 B4 O26 | P -1 | 12.105; 12.145; 13.547 74.72; 66.281; 81.38 | 1756.8 | Davis, Claude J.; Lewis, Patrick T.; Billodeaux, Damon R.; Fronczek, Frank R.; Escobedo, Jorge O.; Strongin, Robert M. Solid-State Supramolecular Structures of Resorcinol−Arylboronic Acid Compounds Organic Letters, 2001, 3, 2443 |
| 1507517 | CIF | C23 H37 N O5 S Si | P 1 21 1 | 10.6837; 6.2994; 18.8641 90; 102.031; 90 | 1241.68 | Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R. Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements Organic Letters, 2001, 3, 2109 |
| 1507518 | CIF | C24 H26 N2 O7 S | P 1 21/n 1 | 21.9379; 13.6295; 23.4087 90; 95.352; 90 | 6968.7 | Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R. Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements Organic Letters, 2001, 3, 2109 |
| 1507519 | CIF | C16 H11 Cl3 O S3 | A b a 2 | 24.646; 10.612; 13.602 90; 90; 90 | 3557.5 | Marsella, Michael J.; Yoon, Kunsang; Tham, Fook S. Synthesis and Crystal Structure of a Tubular Sexithiophene Organic Letters, 2001, 3, 2129 |
| 1507520 | CIF | C13 H12 O3 | P b c a | 8.1348; 12.0317; 20.4322 90; 90; 90 | 1999.81 | Harmata, Michael; Rashatasakhon, Paitoon A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol Organic Letters, 2001, 3, 2533 |
| 1507521 | CIF | C15 H20 O2 | P -1 | 8.9084; 10.0653; 14.7694 84.534; 84.355; 78.48 | 1287.45 | Loh, Teck-Peng; Hu, Qi-Ying; Tan, Kui-Thong; Cheng, Hin-Soon Diverse Cyclization Catalyzed by In(OTf)3for the Convergent Assembly of Substituted Tetrahydrofurans and Tetrahydropyrans Organic Letters, 2001, 3, 2669 |
| 1507522 | CIF | C16 H26 O5 S | P 21 21 21 | 6.4313; 11.6244; 22.4048 90; 90; 90 | 1674.98 | Yu, Ming; Lynch, Vincent; Pagenkopf, Brian L. Intramolecular Cyclopropanation of Glycals: Studies toward the Synthesis of Canadensolide, Sporothriolide, and Xylobovide Organic Letters, 2001, 3, 2563 |
| 1507523 | CIF | C42 H24 | P 1 21/n 1 | 15.01; 9.2219; 20.202 90; 101.725; 90 | 2738 | Neudorff, Wolf Dietrich; Schulte, Niels; Lentz, Dieter; Schlüter, A. Dieter 8,9-Didehydrofluoranthenes as Building Blocks for the Synthesis of Extended Polycyclic Aromatic Hydrocarbons (PAHs) Organic Letters, 2001, 3, 3115 |
| 1507524 | CIF | C17 H23 N3 O5 | P 1 21/n 1 | 7.926; 8.64; 26.257 90; 93.35; 90 | 1795 | Hughes, Freddie; Grossman, Robert B. A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines Organic Letters, 2001, 3, 2911 |
| 1507525 | CIF | C14 H21 N3 O5 | P 21 21 21 | 6.563; 10.748; 22.495 90; 90; 90 | 1586.78 | Hughes, Freddie; Grossman, Robert B. A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines Organic Letters, 2001, 3, 2911 |
| 1507526 | CIF | C20 H25 F3 N2 O8 | C 1 2/c 1 | 29.928; 9.445; 18.951 90; 120.43; 90 | 4619 | Hughes, Freddie; Grossman, Robert B. A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines Organic Letters, 2001, 3, 2911 |
| 1507527 | CIF | C11 H15 Br O4 | P 1 21/n 1 | 12.541; 8.7123; 12.566 90; 118.02; 90 | 1212 | Runcie, Karen A.; Taylor, Richard J. K. A Short and Efficient Route to Novel Scyphostatin Analogues Organic Letters, 2001, 3, 3237 |
| 1507528 | CIF | C18 H20 | P 1 21/n 1 | 7.069; 18.263; 5.618 90; 110.236; 90 | 680.5 | Tukada, Hideyuki; Mochizuki, Katsura Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation Organic Letters, 2001, 3, 3305 |
| 1507529 | CIF | C22 H24 | P 3 1 c | 18.995; 18.995; 7.835 90; 90; 120 | 2448.2 | Tukada, Hideyuki; Mochizuki, Katsura Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation Organic Letters, 2001, 3, 3305 |
| 1507530 | CIF | C30 H34 N2 O5 | P 1 21/n 1 | 12.5856; 9.9628; 20.218 90; 92.877; 90 | 2531.9 | Comins, Daniel L.; Williams, Alfred L. Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine Organic Letters, 2001, 3, 3217 |
| 1507531 | CIF | C30 H34 N2 O5 | P -1 | 8.6581; 9.705; 16.1393 100.945; 94.908; 97.909 | 1310.08 | Comins, Daniel L.; Williams, Alfred L. Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine Organic Letters, 2001, 3, 3217 |
| 1507532 | CIF | C18 H18 N2 O2 | P -1 | 7.7074; 9.146; 11.804 87.94; 86.55; 71.33 | 786.7 | Papaefstathiou, Giannis S.; MacGillivray, Leonard R. Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol Organic Letters, 2001, 3, 3835 |
| 1507533 | CIF | C18 H17 Cl N2 O2 | P 1 21/n 1 | 9.512; 10.731; 16.012 90; 99.919; 90 | 1610 | Papaefstathiou, Giannis S.; MacGillivray, Leonard R. Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol Organic Letters, 2001, 3, 3835 |
| 1507534 | CIF | C36 H32 Cl4 N4 O4 | P 1 21/n 1 | 9.254; 11.684; 15.949 90; 97.13; 90 | 1711.1 | Papaefstathiou, Giannis S.; MacGillivray, Leonard R. Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol Organic Letters, 2001, 3, 3835 |
| 1507535 | CIF | C26 H28 Cr O5 Si | P 1 21/n 1 | 6.5976; 28.7405; 13.254 90; 99.7669; 90 | 2476.78 | Moser, William H.; Sun, Liangdong; Huffman, John C. Synthesis and Reactivity of Silyl Vinylketenes: A Formal Interrupted Dötz Benzannulation with Unexpected Silyl Migration Organic Letters, 2001, 3, 3389 |
| 1507536 | CIF | C17 H21 N O4 S | P b c a | 43.138; 9.07; 8.544 90; 90; 90 | 3342.9 | Bommezijn, Sacha; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lizos, Dimitrios; Murphy, John A. 1,4-Pentadienyl-3-sulfonamides: Frameworks for “Disfavored” Radical Cascade Cyclizations Organic Letters, 2001, 3, 3405 |
| 1507537 | CIF | C10 H6 O S3 | P 21 21 21 | 4.752; 13.15; 15.353 90; 90; 90 | 959.39 | Grainger, Richard S.; Procopio, Alberto; Steed, Jonathan W. A Novel Recyclable Sulfur Monoxide Transfer Reagent Organic Letters, 2001, 3, 3565 |
| 1507538 | CIF | C62 H72 O Se | P -1 | 15.356; 18.983; 19.335 87.445; 78.993; 66.908 | 5086.4 | Goto, Kei; Nagahama, Michiko; Mizushima, Tadashi; Shimada, Keiichi; Kawashima, Takayuki; Okazaki, Renji The First Direct Oxidative Conversion of a Selenol to a Stable Selenenic Acid: Experimental Demonstration of Three Processes Included in the Catalytic Cycle of Glutathione Peroxidase Organic Letters, 2001, 3, 3569 |
| 1507539 | CIF | C11 H10 O4 | P 1 21/n 1 | 7.0591; 7.3739; 18.791 90; 97.983; 90 | 968.7 | Parker, Kathlyn A.; Mindt, Thomas L. Electrocyclic Ring Closure of the Enols of Vinyl Quinones. A2H-Chromene Synthesis Organic Letters, 2001, 3, 3875 |
| 1507540 | CIF | C26 H36 N2 O2 | P 1 21/n 1 | 13.5; 14.009; 25.886 90; 94.64; 90 | 4879.56 | Clayden, Jonathan; Lund, Andrew; Youssef, Latifa H. Conformational Preference and Remote (1,10) Stereocontrol in Biphenyl-2,2‘-dicarboxamides Organic Letters, 2001, 3, 4133 |
| 1507541 | CIF | C18 H24 N2 O5 | P 1 21/n 1 | 11.758; 12.186; 13.172 90; 91.495; 90 | 1886.7 | Grossman, Robert B.; Rasne, Ravindra M. Short Total Syntheses of Both the Putative and Actual Structures of the Clerodane Diterpenoid (±)-Sacacarin by Double Annulation Organic Letters, 2001, 3, 4027 |
| 1507542 | CIF | C11 H13 N5 O | P -1 | 7.636; 11.124; 14.903 71.179; 79.323; 78.471 | 1164 | Söntjens, Serge H. M; Meijer, Joris T.; Kooijman, Huub; Spek, Anthony L.; van Genderen, Marcel H. P.; Sijbesma, Rint P.; Meijer, E. W. A Multiple Hydrogen-Bond Scaffold Based on Dipyrimidin-2-ylamine Organic Letters, 2001, 3, 3887 |
| 1507543 | CIF | C12 H14 N2 O6 S | C 1 2/c 1 | 14.8775; 8.8583; 11.1192 90; 111.004; 90 | 1368.02 | Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides Organic Letters, 2001, 3, 4247 |
| 1507544 | CIF | C25 H45 N3 O4 S | P 1 21 1 | 8.3003; 13.8825; 11.6167 90; 97.16; 90 | 1328.14 | Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides Organic Letters, 2001, 3, 4247 |
| 1507545 | CIF | C16 H22 N2 O6 S | P 1 21/a 1 | 14.1; 11.223; 11.773 90; 93.343; 90 | 1859.8 | Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides Organic Letters, 2001, 3, 4247 |
| 1507928 | CIF | C44 H35 Cl Fe Ir N O4 P2 | P n a 21 | 17.8247; 11.4245; 35.8766 90; 90; 90 | 7305.8 | Moran, Joseph; Preetz, Angelika; Mesch, Ryan A.; Krische, Michael J. Iridium-catalysed direct C-C coupling of methanol and allenes. Nature chemistry, 2011, 3, 287-290 |
| 1507929 | CIF | C33 H26 Cl2 O6 S2 | C 1 c 1 | 14.755; 14.831; 7.1877 90; 95.469; 90 | 1565.7 | Seyedsayamdost, Mohammad R.; Case, Rebecca J.; Kolter, Roberto; Clardy, Jon The Jekyll-and-Hyde chemistry of Phaeobacter gallaeciensis. Nature chemistry, 2011, 3, 331-335 |
| 1507930 | CIF | C60 H68 Cu6 O52 | P -3 m 1 | 18.65; 18.65; 6.8329 90; 90; 120 | 2058.2 | Mohideen, M Infas H; Xiao, Bo; Wheatley, Paul S.; McKinlay, Alistair C.; Li, Yang; Slawin, Alexandra M. Z.; Aldous, David W.; Cessford, Naomi F.; Düren, Tina; Zhao, Xuebo; Gill, Rachel; Thomas, K. Mark; Griffin, John M.; Ashbrook, Sharon E.; Morris, Russell E. Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework. Nature chemistry, 2011, 3, 304-310 |
| 1507931 | CIF | C69 H86 Cl6 N4 P4 Si4 U2 | P -1 | 12.3462; 13.0526; 13.5703 106.254; 101.926; 105.292 | 1930 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507932 | CIF | C77 H100 Cl4 N4 O2 P4 Si4 U2 | P -1 | 10.8234; 11.895; 16.7711 91.171; 94.744; 101.546 | 2106.7 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507933 | CIF | C83 H100 I4 N4 P4 Si4 U2 | C 1 2/c 1 | 35.693; 12.776; 21.448 90; 121.351; 90 | 8353 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507934 | CIF | C87.63 H110 Cl1.2 I0.8 N4 P4 Si4 U2 | F d d 2 | 17.3132; 27.8758; 36.903 90; 90; 90 | 17810 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507935 | CIF | C56 H71 I2 N2 O P2 Si2 U | P -1 | 9.836; 12.37; 22.185 74.697; 78.713; 81.039 | 2537.7 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507936 | CIF | C39 H55 Cl3 N2 O2 P2 Si2 U | P -1 | 10.399; 12.5771; 17.9435 85.865; 84.843; 66.167 | 2136.4 | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. A delocalized arene-bridged diuranium single-molecule magnet. Nature chemistry, 2011, 3, 454-460 |
| 1507937 | CIF | C16 H36 Au Cl4 N | P 1 21/n 1 | 14.7634; 8.8165; 18.114 90; 107.073; 90 | 2253.84 | Serpell, Christopher J.; Cookson, James; Ozkaya, Dogan; Beer, Paul D. Core@shell bimetallic nanoparticle synthesis via anion coordination. Nature chemistry, 2011, 3, 478-483 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!