Crystallography Open Database
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Searching space group like 'P 61'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4030770 | CIF | C27 H22 Br N O6 | P 61 | 8.5221; 8.5221; 57.101 90; 90; 120 | 3591.4 | Peris, Gorka; Vedejs, Edwin Enantiocontrolled synthesis of a tetracyclic aminal corresponding to the core subunit of diazonamide a. The Journal of organic chemistry, 2015, 80, 3050-3057 |
| 4030984 | CIF | C14 H17 F3 N2 O2 | P 61 | 15.74885; 15.74885; 11.05787 90; 90; 120 | 2375.2 | Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A. Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers. The Journal of organic chemistry, 2015, 80, 5415-5427 |
| 4033666 | CIF | C25.75 H30 O | P 61 | 23.9466; 23.9466; 6.5821 90; 90; 120 | 3268.8 | Nielsen, Christian D.-T.; White, Andrew J. P.; Sale, David; Burés, Jordi; Spivey, Alan Christopher Hydroarylation of alkenes by protonation/Friedel-Crafts trapping - HFIP-mediated access to per-aryl quaternary stereocentres. The Journal of organic chemistry, 2019 |
| 4034074 | CIF | C17 H25 N3 O2 | P 61 | 10.6027; 10.6027; 26.41 90; 90; 120 | 2571.18 | Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group. The Journal of organic chemistry, 2019, 84, 12809-12834 |
| 4034621 | CIF | C19 H23 Cl N O4 P S | P 61 | 12.8491; 12.8491; 22.5713 90; 90; 120 | 3227.25 | Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S. Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides. The Journal of organic chemistry, 2019, 84, 7291-7302 |
| 4036295 | CIF | C22 H29 Cl2 F N2 O3 S | P 61 | 12.5299; 12.5299; 53.989 90; 90; 120 | 7340.6 | Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R. Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams. The Journal of organic chemistry, 2015, 80, 9926-9941 |
| 4036783 | CIF | C18 H42 N4 O5 Si2 | P 61 | 10.0635; 10.0635; 45.865 90; 90; 120 | 4022.6 | Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes. The Journal of organic chemistry, 2016, 81, 4633-4644 |
| 4037416 | CIF | C26 H28 N4 O6 | P 61 | 28.49; 28.49; 5.767 90; 90; 120 | 4054 | Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths. The Journal of organic chemistry, 2016, 81, 11802-11812 |
| 4038484 | CIF | C17 H18 O3 | P 61 | 8.6843; 8.6843; 32.226 90; 90; 120 | 2104.8 | Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester. The Journal of organic chemistry, 2020 |
| 4062390 | CIF | C28 H42 N4 Ti | P 61 | 8.436; 8.436; 65.573 90; 90; 120 | 4041 | Carpentier, Jean-François; Martin, Alfredo; Swenson, Dale C.; Jordan, Richard F. Synthesis, Stereochemistry, and Reactivity of Group 4 Metal Complexes That Contain a Chiral Tetradentate Diamine-Diamide Ligand Organometallics, 2003, 22, 4999-5010 |
| 4067311 | CIF | C29 H31 B F4 N4 O2 Pd2 | P 61 | 13.5487; 13.5487; 27.8944 90; 90; 120 | 4434.5 | Ficks, Arne; Sibbald, Connor; John, Michael; Dechert, Sebastian; Meyer, Franc Dinuclear Allylpalladium Complexes ofC2-Symmetric Pyrazolate-Bridged Bis(oxazoline) Ligands (pyrbox's): Structures, Dynamic Behavior, and Application in Asymmetric Allylic Alkylation Organometallics, 2010, 29, 1117 |
| 4073408 | CIF | C32 H40 Se2 U | P 61 | 12.7763; 12.7763; 32.1519 90; 90; 120 | 4545.1 | Evans, William J.; Miller, Kevin A.; Kozimor, Stosh A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L. Actinide Hydride Complexes as Multielectron Reductants: Analogous Reduction Chemistry from [(C5Me5)2UH]2, [(C5Me5)2UH2]2, and [(C5Me5)2ThH2]2 Organometallics, 2007, 26, 3568 |
| 4078158 | CIF | C32 H44 Cl Ir N2 | P 61 | 22.584; 22.584; 10.3184 90; 90; 120 | 4557.7 | Blake, Garrett A.; Moerdyk, Jonathan P.; Bielawski, Christopher W. Tuning the Electronic Properties of Carbenes: A Systematic Comparison of Neighboring Amino versus Amido Groups Organometallics, 2012, 31, 3373 |
| 4078931 | CIF | C65 H88 F6 O7 P4 Pt S2 | P 61 | 13.4616; 13.4616; 66.2129 90; 90; 120 | 10391.2 | Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L. Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes Organometallics, 2012, 31, 5573 |
| 4081509 | CIF | C24 H23 Fe N O S | P 61 | 9.142; 9.142; 40.0765 90; 90; 120 | 2900.7 | Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder Stereoselective Ortho Borylation of Pyridylferrocenes Organometallics, 2013, 32, 5843 |
| 4081510 | CIF | C20 H25 Fe N Sn | P 61 | 10.0515; 10.0515; 32.8264 90; 90; 120 | 2872.21 | Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder Stereoselective Ortho Borylation of Pyridylferrocenes Organometallics, 2013, 32, 5843 |
| 4085128 | CIF | C26 H33 Bi N2 | P 61 | 9.7269; 9.7269; 43.282 90; 90; 120 | 3546.4 | Kindra, Douglas R.; Peterson, Jeffrey K.; Ziller, Joseph W.; Evans, William J. Synthesis and Structure of Bis- and Tris-Benzyl Bismuth Complexes Organometallics, 2015, 34, 395 |
| 4100870 | CIF | C21 H28 N6 O9 | P 61 | 13.3588; 13.3588; 31.219 90; 90; 120 | 4824.8 | Wilson, Scott R.; Prussak-Wieckowska, Teresa Journal of the American Chemical Society, 2005 |
| 4101210 | CIF | C18 H33 N O4 | P 61 | 10.29; 10.29; 32.797 90; 90; 120 | 3007.4 | Journal of the American Chemical Society, 2006 |
| 4101257 | CIF | C10 H20 N2 O3 | P 61 | 14.573; 14.573; 10.354 90; 90; 120 | 1904.3 | Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society, 2006, 128, 6737-6744 |
| 4101258 | CIF | C11 H22 N2 O3 | P 61 | 14.774; 14.774; 10.319 90; 90; 120 | 1950.6 | Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society, 2006, 128, 6737-6744 |
| 4101260 | CIF | C11 H22 N2 O3 | P 61 | 14.871; 14.871; 10.305 90; 90; 120 | 1973.6 | Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society, 2006, 128, 6737-6744 |
| 4101261 | CIF | C9 H18 N2 O3 | P 61 | 14.481; 14.481; 10.037 90; 90; 120 | 1822.8 | Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society, 2006, 128, 6737-6744 |
| 4101262 | CIF | C9 H18 N2 O3 | P 61 | 14.261; 14.261; 10.221 90; 90; 120 | 1800.2 | Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy. Journal of the American Chemical Society, 2006, 128, 6737-6744 |
| 4101813 | CIF | C30 H53 N5 O8 | P 61 | 24.4102; 24.4102; 10.6627 90; 90; 120 | 5502.3 | Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram Hydrophobic Peptide Channels and Encapsulated Water Wires Journal of the American Chemical Society, 2010, 132, 1075-1086 |
| 4101814 | CIF | C29 H51 N5 O8.17 | P 61 | 24.3645; 24.3645; 10.4875 90; 90; 120 | 5391.6 | Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram Hydrophobic Peptide Channels and Encapsulated Water Wires Journal of the American Chemical Society, 2010, 132, 1075-1086 |
| 4102810 | CIF | C52 H78 N8 O2 | P 61 | 10.7895; 10.7895; 72.85 90; 90; 120 | 7344.5 | Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones Journal of the American Chemical Society, 2010, 132, 10650-10651 |
| 4103383 | CIF | C21 H29 B F4 N2 Pd | P 61 | 18.9952; 18.9952; 11.8778 90; 90; 120 | 3711.54 | Alison N. Campbell; Paul B. White; Ilia A. Guzei; Shannon S. Stahl Allylic C-H Acetoxylation with a 4,5-Diazafluorenone-Ligated Palladium Catalyst: A Ligand-Based Strategy To Achieve Aerobic Catalytic Turnover Journal of the American Chemical Society, 2010, 132, 15116-15119 |
| 4107065 | CIF | C11 H15 Cl N2 O4 Zn | P 61 | 17.691; 17.691; 10.5617 90; 90; 120 | 2862.7 | Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology Journal of the American Chemical Society, 2011, 133, 17950-17958 |
| 4107066 | CIF | C11 H15 Br N2 O4 Zn | P 61 | 17.768; 17.768; 10.4796 90; 90; 120 | 2865.2 | Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology Journal of the American Chemical Society, 2011, 133, 17950-17958 |
| 4107069 | CIF | C11 H15 Cl N2 O2 Zn | P 61 | 17.7661; 17.7661; 10.5104 90; 90; 120 | 2873 | Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology Journal of the American Chemical Society, 2011, 133, 17950-17958 |
| 4107070 | CIF | C11 H15 Br N2 O2 Zn | P 61 | 17.859; 17.859; 10.5031 90; 90; 120 | 2901.1 | Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology Journal of the American Chemical Society, 2011, 133, 17950-17958 |
| 4109216 | CIF | C38 H31 N3 O4 Pd | P 61 | 23.268; 23.268; 10.831 90; 90; 120 | 5078.3 | Vadim A. Soloshonok; Hisanori Ueki; Jason L. Moore; Trevor K. Ellis Design and Synthesis of Molecules with Switchable Chirality via Formation and Cleavage of Metal-Ligand Coordination Bonds Journal of the American Chemical Society, 2007, 129, 3512-3513 |
| 4109569 | CIF | C41.33 H62.67 Cl3 N2 O0.33 P Ru | P 61 | 20.7728; 20.7728; 18.1437 90; 90; 120 | 6780.3 | Marisa L. Macnaughtan; Marc J. A. Johnson; Jeff W. Kampf Olefin Metathesis Reactions with Vinyl Halides: Formation, Observation, Interception, and Fate of the Ruthenium-Monohalomethylidene Moiety Journal of the American Chemical Society, 2007, 129, 7708-7709 |
| 4110475 | CIF | C23.83 H46 N2 Zr | P 61 | 22.4585; 22.4585; 8.8491 90; 90; 120 | 3865.37 | Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers Journal of the American Chemical Society, 2006, 128, 3420-3432 |
| 4111591 | CIF | C12 H26 O4 Si | P 61 | 20.1923; 20.1923; 6.9288 90; 90; 120 | 2446.58 | Jason C. Valentine; Frank E. McDonald; Wade A. Neiwert; Kenneth I. Hardcastle Biomimetic Synthesis of trans,syn,trans-Fused Polyoxepanes: Remarkable Substituent Effects on the endo-Regioselective Oxacyclization of Polyepoxides Journal of the American Chemical Society, 2005, 127, 4586-4587 |
| 4115392 | CIF | C61 H50 Cl2 N2 O4 Ti | P 61 | 13.1301; 13.1301; 50.308 90; 90; 120 | 7511.1 | Yu Yuan; Xin Li; Jie Sun; Kuiling Ding To Probe the Origin of Activation Effect of Carboxylic Acid and (+)-NLE in Tridentated Titanium Catalyst Systems Journal of the American Chemical Society, 2002, 124, 14866-14867 |
| 4115425 | CIF | C53 H50 Ag2 Cl2 N4 O11 Pt2 | P 61 | 14.805; 14.805; 41.608 90; 90; 120 | 7898.1 | Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito A Helical Metal-Metal Bonded Chain via the Pt\ρightarrowAg Dative Bond Journal of the American Chemical Society, 2001, 123, 743-744 |
| 4116197 | CIF | C32 H57 N5 O9 | P 61 | 26.711; 26.711; 9.884 90; 90; 120 | 6107 | Hiroshi Kogen; Toshihiro Kiho; Mizuka Nakayama; Youji Furukawa; Takeshi Kinoshita; Masatoshi Inukai Crystal Structure and Total Synthesis of Globomycin: Establishment of Relative and Absolute Configurations Journal of the American Chemical Society, 2000, 122, 10214-10215 |
| 4119822 | CIF | C51 H62 Br2 Cu N2 O2 | P 61 | 22.604; 22.604; 17.635 90; 90; 120 | 7803 | Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes Journal of the American Chemical Society, 2013, 135, 7851-7854 |
| 4120104 | CIF | C25 H31 Co2 N3 O14 | P 61 | 15.9288; 15.9288; 21.3663 90; 90; 120 | 4694.9 | Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework Journal of the American Chemical Society, 2013, 135, 10214-10217 |
| 4120105 | CIF | C25 H21 Co2 N3 O9 | P 61 | 15.8831; 15.8831; 21.3791 90; 90; 120 | 4670.8 | Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework Journal of the American Chemical Society, 2013, 135, 10214-10217 |
| 4120106 | CIF | C25 H19 Co2 N3 O8 | P 61 | 15.6888; 15.6888; 21.7323 90; 90; 120 | 4632.5 | Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework Journal of the American Chemical Society, 2013, 135, 10214-10217 |
| 4120107 | CIF | C25 H31 Co2 N3 O14 | P 61 | 15.9363; 15.9363; 21.338 90; 90; 120 | 4693.1 | Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework Journal of the American Chemical Society, 2013, 135, 10214-10217 |
| 4122021 | CIF | C16 H15 Cl F N O | P 61 | 21.7099; 21.7099; 5.3925 90; 90; 120 | 2201.1 | Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C. Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies. Journal of the American Chemical Society, 2014, 136, 8899-8902 |
| 4122515 | CIF | C12 H18 O7 Sm | P 61 | 10.9566; 10.9566; 21.2225 90; 90; 120 | 2206.37 | Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation. Journal of the American Chemical Society, 2014, 136, 12572-12575 |
| 4123347 | CIF | C41.52 H38.08 Co2 N1.64 O12.35 S4 | P 61 | 19.3867; 19.3867; 20.8268 90; 90; 120 | 6778.9 | Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks. Journal of the American Chemical Society, 2015, 137, 1774-1777 |
| 4123645 | CIF | C38 H59 Br N4 O7 | P 61 | 25.5011; 25.5011; 11.0911 90; 90; 120 | 6246.3 | Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H. Heterogeneous h-bonding in a foldamer helix. Journal of the American Chemical Society, 2015, 137, 6484-6487 |
| 4125976 | CIF | C39 H59 Mo N5 | P 61 | 16.659; 16.659; 32.217 90; 90; 120 | 7743.08 | Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J. Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand. Journal of the American Chemical Society, 2017, 139, 6110-6113 |
| 4126014 | CIF | C19 H24 O4 | P 61 | 20.4847; 20.4847; 6.8358 90; 90; 120 | 2484.16 | Yu, Songjie; Wu, Caizhi; Ge, Shaozhong Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane. Journal of the American Chemical Society, 2017, 139, 6526-6529 |
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