Crystallography Open Database

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1514685 CIFC50 H33 F20 N O7 P Rh SP -111.7155; 12.1131; 18.2303
70.901; 89.025; 83.198
2426.82Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav
Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2062-2070
1514686 CIFC54 H52 Co F20 N2 O7 PP -113.4123; 14.8876; 16.7728
94.268; 90.34; 97.344
3312.1Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav
Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 2062-2070
1514761 CIFC13 H14 O3P b c a10.2738; 11.207; 19.0373
90; 90; 90
2191.93Farmer, Rebecca L.; Scheidt, Karl A.
A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3304-3309
1514776 CIFC38 H42 Cl2 N4 O7 S SiP 21 21 219.7839; 16.5231; 24.2524
90; 90; 90
3920.7Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad
Concise Total Synthesis of (+)-Bionectins A and C.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197
1514777 CIFC32.33 H36.66 Cl0.66 N4 O10 S SiP 113.7346; 16.0038; 17.3585
100.01; 92.214; 108.59
3543.2Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad
Concise Total Synthesis of (+)-Bionectins A and C.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197
1514778 CIFC45 H50 N4 O14 SP 1 21 112.8803; 10.3954; 16.5478
90; 90.063; 90
2215.7Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad
Concise Total Synthesis of (+)-Bionectins A and C.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197
1514779 CIFC29 H21 N5 O6 S2P 1 21 111.6928; 11.2669; 20.6483
90; 96.676; 90
2701.8Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad
Concise Total Synthesis of (+)-Bionectins A and C.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197
1514829 CIFC63 H65 Au2 Cl2 F6 N O10 P2 S2P -112.9063; 14.0711; 20.7385
101.178; 99.806; 113.143
3268.15Weber, Dieter; Gagné, Michel R
σ-π-Diauration as an alternative binding mode for digold intermediates in gold(i) catalysis.
Chemical science (Royal Society of Chemistry : 2010), 2013, 47, 335-338
1514847 CIFC31 H33 N3 O7 SC 1 2/c 126.759; 8.5937; 24.464
90; 92.096; 90
5621.9Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T.
Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex "Terpenoid-like" Heterocycles.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 292-296
1514848 CIFC31 H27 N3 O8 SP -17.9323; 12.8416; 28.201
96.6629; 90.955; 94.4154
2843.8Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T.
Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex "Terpenoid-like" Heterocycles.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 292-296
1514854 CIFC25 H20 OP 1 21/c 111.751; 7.5332; 19.9382
90; 95.651; 90
1756.4Truong, Thanh; Daugulis, Olafs
Divergent Reaction Pathways for Phenol Arylation by Arynes: Synthesis of Helicenes and 2-Arylphenols.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 531-535
1515137 CIFC29 H57 O4 Si2P 21 21 2112.0562; 13.9646; 18.9224
90; 90; 90
3185.8Shareef, Abdur-Rafay; Sherman, David H.; Montgomery, John
Nickel-Catalyzed Regiodivergent Approach to Macrolide Motifs.
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 892-895
1515171 CIFC24 H24 N4 O2 S2P 21 21 218.5206; 13.968; 18.439
90; 90; 90
2194.5Boyer, Nicolas; Movassaghi, Mohammad
Concise Total Synthesis of (+)-Gliocladins B and C.
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1798-1803
1515202 CIFC45 H45 Cl5 Fe N3 O4 PP 1 21/c 119.234; 14.717; 16.801
90; 107.866; 90
4526.5McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence
A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693
1515203 CIFC30 H26 Fe2 N6 O9C 1 2/c 118.81; 8.8413; 23.661
90; 109.478; 90
3709.7McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence
A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693
1515204 CIFC42 H58 Fe2 N6 O13C 1 2/c 124.8834; 8.8381; 24.4677
90; 120.136; 90
4653.7McDonald, Aidan R.; Guo, Yisong; Vu, Van V.; Bominaar, Emile L.; Münck, Eckard; Que, Jr, Lawrence
A Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1680-1693
1515224 CIFC68 H75 N3 O17 Rh2P 1 21 19.957; 21.918; 15.524
90; 104.837; 90
3275Boruta, David T.; Dmitrenko, Olga; Yap, Glenn P. A.; Fox, Joseph M.
Rh(2)(S-PTTL)(3)TPA-A Mixed Ligand Dirhodium(II) Catalyst for Enantioselective Reactions of α-Alkyl-α-Diazoesters.
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 1589-1593
1515269 CIFC29 H40 Au Cl4 F N2P 1 21/m 19.3108; 16.3917; 10.7713
90; 103.594; 90
1597.9Mankad, Neal P.; Toste, F. Dean
C(sp(3))-F reductive elimination from alkylgold(iii) fluoride complexes.
Chemical science (Royal Society of Chemistry : 2010), 2012, 3, 72-76
1515403 CIFC52.69 H51.38 Cl1.38 N8 O8P -113.5061; 13.6726; 15.5153
112.007; 103.362; 102.907
2427.06Gavette, Jesse V.; Evoniuk, Christopher J.; Zakharov, Lev N.; Carnes, Matthew E.; Haley, Michael M.; Johnson, Darren W.
Exploring Anion-Induced Conformational Flexibility and Molecular Switching in a Series of Heteroaryl-Urea Receptors.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2899-2905
1515404 CIFC24 H24 N4 O4P 1 21/n 112.6483; 6.9763; 25.125
90; 101.115; 90
2175.4Gavette, Jesse V.; Evoniuk, Christopher J.; Zakharov, Lev N.; Carnes, Matthew E.; Haley, Michael M.; Johnson, Darren W.
Exploring Anion-Induced Conformational Flexibility and Molecular Switching in a Series of Heteroaryl-Urea Receptors.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2899-2905
1515413 CIFC47 H59 Cl3 N4 O8 SiC 1 2 119.546; 17.36; 19.889
90; 105.63; 90
6499Knowles, Robert R.; Carpenter, Joseph; Blakey, Simon B.; Kayano, Akio; Mangion, Ian K.; Sinz, Christopher J.; Macmillan, David W. C.
Total synthesis of diazonamide A.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2011, 308-311
1515477 CIFC30 H25 Cl N2 O4 SP 1 21/n 111.8193; 11.4475; 19.9444
90; 97.77; 90
2673.7Campbell, Matthew J.; Toste, F. Dean
Enantioselective synthesis of cyclic carbamimidates via a three-component reaction of imines, terminal alkynes, and p-toluenesulfonylisocyanate using a monophosphine gold(I) catalyst().
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1369-1378
1515493 CIFC19 H24 Br N O6P 21 21 216.6796; 9.2556; 31.8029
90; 90; 90
1966.2Bartelson, Keith J.; Singh, Ravi P.; Foxman, Bruce M.; Deng, Li
Catalytic Asymmetric [4 + 2] Additions with Aliphatic Nitroalkenes.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1940-1944
1515535 CIFC17 H22 O3P b c a12.7496; 10.619; 22.4445
90; 90; 90
3038.7Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.
Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2378-2382
1515536 CIFC17 H21 Br O3P 21 21 215.8343; 7.4644; 37.7001
90; 90; 90
1641.82Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.
Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2378-2382
1515537 CIFC18 H24 O4P 1 21/n 112.1533; 35.1495; 12.2922
90; 110.684; 90
4912.5Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.
Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2378-2382
1515551 CIFC16 H27 Cu F6 N P S3P 1 21/c 115.503; 13.996; 10.645
90; 109.377; 90
2178.9Chaudhry, Aneese F.; Mandal, Subrata; Hardcastle, Kenneth I.; Fahrni, Christoph J.
High-contrast Cu(I)-selective fluorescent probes based on synergistic electronic and conformational switching.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1016-1024
1515576 CIFC21 H22 O2P n a 2118.0449; 16.5511; 5.3798
90; 90; 90
1606.75Du, Juana; Espelt, Laura Ruiz; Guzei, Ilia A.; Yoon, Tehshik P.
Photocatalytic Reductive Cyclizations of Enones: Divergent Reactivity of Photogenerated Radical and Radical Anion Intermediates.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2115-2119
1515577 CIFC13 H18 F3 N O4P 1 21 19.548; 5.573; 13.512
90; 102.084; 90
703.1Royzen, Maksim; Taylor, Michael T.; Deangelis, Andrew; Fox, Joseph M.
Total Synthesis of Hyacinthacine A2: Stereocontrolled 5-aza-cyclooctene Photoisomerization and Transannular Hydroamination with Planar-to-Point Chirality Transfer.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 2162-2165
1515607 CIFC30 H38 O4 SiP 1 21 19.7467; 14.1261; 20.0486
90; 95.845; 90
2746Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.
Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1568
1515608 CIFC14 H20 O4P 21 21 217.2838; 9.555; 19.3652
90; 90; 90
1347.8Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.
Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1568
1515609 CIFC13 H18 O3P 1 21/c 112.956; 8.4492; 11.2977
90; 90.405; 90
1236.7Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.
Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1568
1515610 CIFC14 H22 O4P 21 21 216.16325; 11.2731; 18.7642
90; 90; 90
1303.72Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.
Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1568
1515611 CIFC14 H20 O4P 21 21 216.14187; 11.3932; 18.2633
90; 90; 90
1277.98Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.
Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1568
1515646 CIFC33.25 H37.25 Cl1.5 N2 O4 SiP 21 21 28.3338; 25.68; 15.2004
90; 90; 90
3253.1Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.
A practical, convergent route to the key precursor to the tetracycline antibiotics.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1710-1718
1515647 CIFC20 H18 N2 O4P -18.4645; 9.265; 13.88
101.3; 98.534; 106.22
1000.8Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.
A practical, convergent route to the key precursor to the tetracycline antibiotics.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1710-1718
1515648 CIFC20 H20 N2 O4P 21 21 216.4713; 12.2439; 21.5133
90; 90; 90
1704.58Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.
A practical, convergent route to the key precursor to the tetracycline antibiotics.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1710-1718
1515650 CIFC27 H22 Cl N O5 S2P 1 21 111.2346; 7.9046; 14.0597
90; 94.892; 90
1244.02Atienza, Roxanne L.; Roth, Howard S.; Scheidt, Karl A.
N-heterocyclic carbene-catalyzed rearrangements of vinyl sulfones.
Chemical science (Royal Society of Chemistry : 2010), 2011, 2, 1772-1776
1515768 CIFC44 H52 Au N2 O3 PP 1 21/n 18.8343; 27.11; 17.039
90; 92.118; 90
4078Lalonde, Rebecca L.; Brenzovich, Jr, William E; Benitez, Diego; Tkatchouk, Ekaterina; Kelley, Kotaro; Goddard, 3rd, William A; Toste, F. Dean
Alkylgold complexes by the intramolecular aminoauration of unactivated alkenes.
Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 226
1515769 CIFC39 H39 Au N2 O PP -19.2568; 12.331; 15.174
95.195; 105.262; 101.577
1618Lalonde, Rebecca L.; Brenzovich, Jr, William E; Benitez, Diego; Tkatchouk, Ekaterina; Kelley, Kotaro; Goddard, 3rd, William A; Toste, F. Dean
Alkylgold complexes by the intramolecular aminoauration of unactivated alkenes.
Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 226
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
1515841 CIFC12 H16 Br N4 O4.5P 1 21 113.5873; 6.9161; 15.7114
90; 98.786; 90
1459.1Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu
Total synthesis of all (-)-Agelastatin alkaloids.
Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566
1515842 CIFC12 H12 Br2 N4 O3P 1 21 16.7838; 8.118; 12.9579
90; 100.117; 90
702.51Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu
Total synthesis of all (-)-Agelastatin alkaloids.
Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566
1515843 CIFC11 H11 Br N4 O3P 21 21 216.1269; 6.8919; 29.087
90; 90; 90
1228.2Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu
Total synthesis of all (-)-Agelastatin alkaloids.
Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566
1515844 CIFC11 H13 Br N2 O4P 21 21 218.4061; 9.2037; 17.3522
90; 90; 90
1342.5Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu
Total synthesis of all (-)-Agelastatin alkaloids.
Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566
1515845 CIFC14 H19 Br N4 O4P 21 21 2110.3843; 10.7461; 14.0947
90; 90; 90
1572.8Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu
Total synthesis of all (-)-Agelastatin alkaloids.
Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566
1515846 CIFC17 H17 Br N2 O3 SP 1 21 19.2556; 8.0917; 11.7613
90; 91.799; 90
880.41Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu
Total synthesis of all (-)-Agelastatin alkaloids.
Chemical science (Royal Society of Chemistry : 2010), 2010, 1, 561-566
1516563 CIFC14 H12 F N O2P 1 21/c 117.7553; 4.9562; 13.1145
90; 95.52; 90
1148.71Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter
Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427
1516564 CIFC20 H15 F5 N2 O3R -3 :H24.8585; 24.8585; 16.8633
90; 90; 120
9024.5Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter
Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427

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