Crystallography Open Database

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1515789 CIFC6 H5 Cu SeP 42/n :217.1243; 17.1243; 4.1859
90; 90; 90
1227.5Low, Kam-Hung; Li, Cheng-Hui; Roy, Vellaisamy A. L.; Chui, Stephen Sin-Yin; Chan, Sharon Lai-Fung; Che, Chi-Ming
Homoleptic copper(i) phenylselenolate polymer as a single-source precursor for Cu2Se nanocrystals. Structure, photoluminescence and application in field-effect transistor
Chemical Science, 2010, 1, 515
1515790 CIFC50 H58 O4.5 PP 41 21 216.2608; 16.2608; 34.648
90; 90; 90
9161.4Rueping, Magnus; Theissmann, Thomas
Asymmetric Brønsted acid catalysis in aqueous solution
Chemical Science, 2010, 1, 473
1515791 CIFC48.5 H29 Cl O4 P Pd0.25C 1 2 125.774; 17.105; 22.731
90; 121.38; 90
8555Rueping, Magnus; Theissmann, Thomas
Asymmetric Brønsted acid catalysis in aqueous solution
Chemical Science, 2010, 1, 473
1515792 CIFC10 H22.32 F2 N2 O97 Si48P n m a19.959; 19.89; 13.407
90; 90; 90
5322Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E.
Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites
Chemical Science, 2010, 1, 483
1515793 CIFO16 Si8C m c 2113.824; 17.42; 5.052
90; 90; 90
1216.59Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E.
Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites
Chemical Science, 2010, 1, 483
1515794 CIFC68 H88 Cl2 Ge2 O2I 1 2/m 114.3831; 10.975; 19.628
90; 95.579; 90
3083.7Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515795 CIFC72 H84 Cl2 Sn2I 1 2/m 114.908; 11.003; 19.38
90; 98.493; 90
3144.1Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515796 CIFC78 H102 Ge2 Sn2P 1 21/c 112.753; 11.666; 23.95
90; 90.305; 90
3563.1Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515797 CIFC67 H92.5 Ge2 O0.25 Si2P 1 21/c 112.915; 45.098; 22.5681
90; 98.67; 90
12994.4Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515798 CIFC80 H106 Si2 Sn2P 1 21/c 112.7007; 11.7079; 24.3198
90; 90.138; 90
3616.3Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515799 CIFC76 H94 O2 Sn2P -110.851; 12.507; 13.88
96.444; 97.785; 114.634
1666.5Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515800 CIFC82 H106 Sn2P -110.5215; 12.0825; 15.337
103.218; 107.001; 91.541
1805.9Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515801 CIFC203 H284 Ge4P 1 21/c 115.153; 22.6; 26.212
90; 100.842; 90
8816Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515802 CIFC84.6667 H123.6667 O0.16667 Sn2P -115.1577; 22.7946; 36.174
75.115; 84.218; 78.732
11829.5Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515803 CIFC60 H72 Cl4 Sn2P c c n20.3965; 15.7884; 17.1574
90; 90; 90
5525.2Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515804 CIFC80 H106 Cl2 Si2 Sn2P -111.3422; 12.9163; 15.1478
112.053; 103.247; 103.156
1877.18Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515805 CIFC76 H94 Cl2 O2 Sn2C 1 2/c 123.035; 10.8053; 27.61
90; 98.801; 90
6791.2Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515806 CIFC84 H122 Cl0.13 Ge2 I1.87P -111.9294; 18.4084; 20.7414
114.657; 105.431; 90.806
3949.4Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515807 CIFC42 H61 Cl SnC 1 2/c 116.5067; 9.4895; 26.1959
90; 108.267; 90
3896.6Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515808 CIFC80 H106 Cl1.7 Ge2 I0.3 Sn2P -111.4346; 12.9085; 15.1952
111.709; 103.674; 103.032
1899.2Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515809 CIFC35 H52 N3 O6.5 Si2P -110.129; 18.6652; 21.536
75.478; 88.638; 78.94
3867Goldup, Stephen M.; Leigh, David A.; McBurney, Roy T.; McGonigal, Paul R.; Plant, Andrew
Ligand-assisted nickel-catalysed sp3–sp3 homocoupling of unactivated alkyl bromides and its application to the active template synthesis of rotaxanes
Chemical Science, 2010, 1, 383
1515810 CIFC44.5 H65 N2 P2 VP 1 21/c 114.3987; 10.4231; 28.2627
90; 98.277; 90
4197.5Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.
Intermolecular C–H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex
Chemical Science, 2010, 1, 351
1515811 CIFC100 H155 N5 P6 V2C 1 2/c 132.471; 10.7761; 28.001
90; 95.454; 90
9753Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.
Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex
Chemical Science, 2010, 1, 351
1515812 CIFC38 H50 N P2 VP b c a18.1601; 19.1808; 20.2261
90; 90; 90
7045.3Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.
Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex
Chemical Science, 2010, 1, 351
1515813 CIFC29 H34 Cl2 F6 N2 O6 Pd2P c a 2133.636; 11.4193; 18.0125
90; 90; 90
6918.6Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M.
Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate
Chemical Science, 2010, 1, 331
1515814 CIFC24 H20 F6 N2 O6 Pd2C 1 2/c 127.0838; 16.8253; 14.3465
90; 121.236; 90
5589.9Yeung, Charles S.; Zhao, Xiaodan; Borduas, Nadine; Dong, Vy M.
Pd-catalyzed ortho-arylation of phenylacetamides, benzamides, and anilides with simple arenes using sodium persulfate
Chemical Science, 2010, 1, 331
1515815 CIFC24 H24 N2 O7P 21 21 216.9199; 16.655; 18.415
90; 90; 90
2122.3Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P.
Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones.
Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 387-392
1515816 CIFC32 H32 N2 O7P 1 21 16.7539; 19.324; 21.197
90; 94.231; 90
2758.9Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P.
Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones.
Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 387-392
1515817 CIFC12 H18 As5 Cl3 Cu3 Fe NP 1 21/c 111.66; 21.626; 8.49
90; 90; 90
2140.8Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred
The potential of a cyclo-As5 ligand complex in coordination chemistry
Chemical Science, 2010, 1, 337
1515818 CIFC12 H18 As5 Br3 Cu3 Fe NP 1 21/c 111.8229; 21.7908; 8.6497
90; 90.118; 90
2228.42Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred
The potential of a cyclo-As5 ligand complex in coordination chemistry
Chemical Science, 2010, 1, 337
1515819 CIFC10 H15 As5 Cu2 Fe I2P -18.4256; 10.9119; 11.482
71.256; 81.825; 78.273
975.42Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred
The potential of a cyclo-As5 ligand complex in coordination chemistry
Chemical Science, 2010, 1, 337
1515820 CIFC11 H17 As5 Cl2 Cu2 Fe I2P n m a15.6513; 11.7371; 24.53
90; 90; 90
4506.18Krauss, Hannes; Balázs, Gabor; Bodensteiner, Michael; Scheer, Manfred
The potential of a cyclo-As5 ligand complex in coordination chemistry
Chemical Science, 2010, 1, 337
1515821 CIFC15 H24 Cl2 Cu N3P c a 2111.892; 15.074; 9.64
90; 90; 90
1728Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi
Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions
Chemical Science, 2010, 1, 326
1515822 CIFC15 H24 Br2 Cu N3P c a 2112.3103; 15.3429; 9.6916
90; 90; 90
1830.5Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi
Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions
Chemical Science, 2010, 1, 326
1515823 CIFC15 H24 Cu I2 N3P 1 21/c 17.165; 17.7756; 15.0327
90; 99.274; 90
1889.6Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi
Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions
Chemical Science, 2010, 1, 326
1515824 CIFC14 H24 Cl2 Cu N3 OP c a 2112.47; 15.254; 9.07
90; 90; 90
1725.3Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi
Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions
Chemical Science, 2010, 1, 326
1515825 CIFC14 H22 Cu I2 N3P -115.441; 16.225; 16.686
66.117; 83.242; 70.542
3603Casitas, Alicia; King, Amanda E.; Parella, Teodor; Costas, Miquel; Stahl, Shannon S.; Ribas, Xavi
Direct observation of CuI/CuIII redox steps relevant to Ullmann-type coupling reactions
Chemical Science, 2010, 1, 326
1515826 CIFC11 H6 Cu N3 O4P 1 21/c 14.716; 27.833; 10.8881
90; 96.103; 90
1421.08Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu
Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer
Chemical Science, 2010, 1, 315
1515827 CIFC12 H6 Cu N5 O4P 1 21/c 14.651; 34.683; 10.812
90; 95.8; 90
1735.2Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu
Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer
Chemical Science, 2010, 1, 315
1515828 CIFC8 H4 Cu N3 O4P 1 21/c 14.7331; 19.9244; 10.8678
90; 96.009; 90
1019.25Matsuda, Ryotaro; Tsujino, Takashi; Sato, Hiroshi; Kubota, Yoshiki; Morishige, Kunimitsu; Takata, Masaki; Kitagawa, Susumu
Temperature responsive channel uniformity impacts on highly guest-selective adsorption in a porous coordination polymer
Chemical Science, 2010, 1, 315
1515829 CIFC78.5 H79 Co N4 O3.5P -113.6816; 14.9382; 19.8125
100.854; 103.727; 109.497
3546.3McGuire Jr., Robert; Dogutan, Dilek K.; Teets, Thomas S.; Suntivich, Jin; Shao-Horn, Yang; Nocera, Daniel G.
Oxygen reduction reactivity of cobalt(ii) hangman porphyrins
Chemical Science, 2010, 1, 411
1515830 CIFC22 H20 O3P 1 21/c 110.6855; 7.9692; 21.0861
90; 102.213; 90
1754.95Sampath, Magesh; Loh, Teck-Peng
Highly enantio-, regio- and diastereo-selective one-pot [2 + 3]-cycloaddition reaction via isomerization of 3-butynoates to allenoates,
Chemical Science, 2010, 1, 739
1515831 CIFBi Fe2 Mn O6P b c m5.0359; 7.07342; 12.65425
90; 90; 90
450.757Yang, Tao; Abakumov, Artem M.; Hadermann, Joke; Van Tendeloo, Gustaaf; Nowik, Israel; Stephens, Peter W.; Hemberger, Joachim; Tsirlin, Alexander A.; Ramanujachary, Kandalam V.; Lofland, Samuel; Croft, Mark; Ignatov, Alexander; Sun, Junliang; Greenblatt, Martha
BiMnFe2O6, a polysynthetically twinned hcp MO structure
Chemical Science, 2010, 1, 751
1515832 CIFC43 H60 Fe2 N4 OP 1 21/c 116.3194; 10.7454; 22.9601
90; 97.397; 90
3992.7Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot
N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules,
Chemical Science, 2010, 1, 697
1515833 CIFC26 H39 Fe N3P 1 21/n 115.253; 9.8425; 16.706
90; 95.195; 90
2497.7Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot
N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules,
Chemical Science, 2010, 1, 697
1515834 CIFC25 H36 Fe N2 O2P 1 21/c 112.1007; 17.09; 11.5086
90; 97.616; 90
2359Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens; Leibold, Michael; Selent, Detlef; Baumann, Wolfgang; von Hopffgarten, Moritz; Goedecke, Catharina; Frenking, Gernot
N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules,
Chemical Science, 2010, 1, 697
1515835 CIFC24 H44 P2P -19.9447; 11.839; 11.991
117.625; 92.392; 99.186
1223.9Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J.
Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene
Chemical Science, 2010, 1, 723
1515836 CIFC24 H44 Cl2 P2 PdP 1 21/c 19.1553; 19.646; 15.159
90; 101.766; 90
2669.3Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J.
Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene
Chemical Science, 2010, 1, 723
1515837 CIFC24 H46 B2 F8 P2P -17.722; 15.101; 24.95
90.779; 97.485; 92.145
2882.1Núñez Magro, A. Alberto; Robb, Lynzi-Marie; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Eastham, Graham R.; Cole-Hamilton, David J.
Highly selective formation of unsaturated esters or cascade reactions to α,ω-diesters by the methoxycarbonylation of alkynes catalysed by palladium complexes of 1,2-bis(ditertbutylphosphinomethyl)benzene
Chemical Science, 2010, 1, 723
1515838 CIFC26 H41 N O9P 1 21 110.6909; 10.6557; 12.547
90; 110.269; 90
1340.8Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.
Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids
Chemical Science, 2010, 1, 637

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