Crystallography Open Database

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4508365 CIFC153 H110 B2 F48 Mo2 N8 O4 P4P -112.4979; 15.4233; 19.774
88.382; 81.163; 87.527
3761.96Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz
Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation
ACS Catalysis, 2013, 3, 2208
4508366 CIFC151 H103 B2 Cl3 F48 Mo2 N4 O4 P4P -116.0776; 17.0716; 18.0135
105.257; 115.011; 98.938
4116.7Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz
Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation
ACS Catalysis, 2013, 3, 2208
4508367 CIFC45 H36 Cl Mo N O4 P2P 1 21/c 111.5883; 13.8586; 24.9475
90; 101.155; 90
3930.82Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz
Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation
ACS Catalysis, 2013, 3, 2208
4508368 CIFC82 H84 Cl2 Mo2 N2 O5 P6P 1 21/n 110.2639; 21.2569; 18.332
90; 105.192; 90
3859.88Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz
Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation
ACS Catalysis, 2013, 3, 2208
4508369 CIFC54 H43 Cl Mo N O2 P3P 1 21/n 119.3956; 12.6738; 20.4746
90; 114.639; 90
4574.74Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz
Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation
ACS Catalysis, 2013, 3, 2208
4508370 CIFC23 H39 Ir O3 P2P -18.288; 11.99; 13.424
100.742; 95.96; 103.708
1257.9Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I.
Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes
ACS Catalysis, 2013, 3, 2391
4508371 CIFC55 H52 B F24 Ir O3 P2C 1 2/c 116.707; 18.088; 39.933
90; 96.48; 90
11991Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I.
Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes
ACS Catalysis, 2013, 3, 2391
4508372 CIFC36 H47 N3 ZnP 1 21/n 112.4548; 12.8516; 20.4735
90; 93.992; 90
3269.12Boone, Courtney; Korobkov, Ilia; Nikonov, Georgii I.
Unexpected Role of Zinc Hydride in Catalytic Hydrosilylation of Ketones and Nitriles
ACS Catalysis, 2013, 3, 2336
4508373 CIFC24 H40 N2 O3 P RuC 1 2/c 132.0382; 11.1091; 16.1622
90; 118.402; 90
5060Huff, Chelsea A.; Sanford, Melanie S.
Catalytic CO2Hydrogenation to Formate by a Ruthenium Pincer Complex
ACS Catalysis, 2013, 3, 2412
4508374 CIFC34 H30 Cr O4 P2P b c a18.625; 20.786; 32.239
90; 90; 90
12481Zhang, Jun; Wang, Xiao; Zhang, Xuejun; Wu, Weijie; Zhang, Gengtao; Xu, Sheng; Shi, Min
Switchable Ethylene Tri-/Tetramerization with High Activity: Subtle Effect Presented by Backbone-Substituent of Carbon-Bridged Diphosphine Ligands
ACS Catalysis, 2013, 3, 2311
4508375 CIFC16 H27 Ir O5 SP b c a9.218; 16.424; 24.589
90; 90; 90
3722.7Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.
Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes
ACS Catalysis, 2013, 3, 2421
4508376 CIFC16 H21 F6 Ir O5 SP 21 21 219.08; 14.954; 15.588
90; 90; 90
2116.6Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.
Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes
ACS Catalysis, 2013, 3, 2421
4508377 CIFC19 H24 Ir N O5 SP 1 21/c 18.2462; 14.311; 16.825
90; 103.277; 90
1932.5Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.
Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes
ACS Catalysis, 2013, 3, 2421
4508378 CIFC19 H24 Cl Ir O3 SP 1 21/c 119.779; 8.4715; 30.216
90; 128.931; 90
3938.5Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.
Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes
ACS Catalysis, 2013, 3, 2421
4508379 CIFC44 H36 Cu4 F12 N8 O16 S4P 1 21/c 125.452; 13.8983; 15.856
90; 104.624; 90
5427.2Hoover, Jessica M.; Ryland, Bradford L.; Stahl, Shannon S.
Copper/TEMPO-Catalyzed Aerobic Alcohol Oxidation: Mechanistic Assessment of Different Catalyst Systems
ACS Catalysis, 2013, 3, 2599
4508380 CIFC32 H28 N2 O5P -19.231; 10.439; 15.222
92.356; 94.503; 113.508
1336.7Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun
Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines
ACS Catalysis, 2013, 3, 2501
4508381 CIFC31 H24 N3 O5.5C 1 2/c 115.715; 22.582; 16.682
90; 102.4; 90
5781.9Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun
Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines
ACS Catalysis, 2013, 3, 2501
4508603 CIFC15 H10 Cl N O2P 1 21/n 13.9967; 25.9143; 12.3646
90; 95.947; 90
1273.73Han, Runfeng; Qi, Jing; Gu, Jixiang; Ma, Donghui; Xie, Xingang; She, Xuegong
N-Heterocyclic Carbene-Catalyzed Formal [3+2] Annulation of Alkynyl Aldehydes with Nitrosobenzenes: A Highly Regioselective Umpolung Strategy
ACS Catalysis, 2013, 3, 2705
4508604 CIFC70 H102 N4 O2 Rh2P -111.021; 11.519; 14.052
68.604; 73.514; 74.287
1564.5Palacios, Laura; Artigas, Maria Jose; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.
Hydroxo–Rhodium–N-Heterocyclic Carbene Complexes as Efficient Catalyst Precursors for Alkyne Hydrothiolation
ACS Catalysis, 2013, 3, 2910
4508605 CIFC18 H21 N O2C 1 2 122.6541; 8.25169; 17.39574
90; 107.371; 90
3103.55Goubert, Guillaume; Demers-Carpentier, Vincent; Loach, Richard P.; Lafleur-Lambert, Raphaél; Lemay, Jean-Christian; Boukouvalas, John; McBreen, Peter H.
Aminolactone Chiral Modifiers for Heterogeneous Asymmetric Hydrogenation: Corrected Structure of Pantoyl-Naphthylethylamine, In-Situ Hydrogenolysis, and Scanning Tunneling Microscopy Observation of Supramolecular Aminolactone/Substrate Assemblies on Pt(111)
ACS Catalysis, 2013, 3, 2677
4508606 CIFC13 H21 Au Cl N3 O5 SC 1 2/c 128.7265; 8.8069; 14.8574
90; 95.337; 90
3742.5Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio
Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones
ACS Catalysis, 2013, 3, 3086
4508607 CIFC14 H21 Au Cl3 N3 O4 S2C 1 2/c 125.769; 11.48; 18.59
90; 107.214; 90
5253Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio
Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones
ACS Catalysis, 2013, 3, 3086
4508608 CIFC14.5 H20 Au Cl3 N3 O3.5 SP 1 2/c 124.0394; 8.8925; 21.0847
90; 116.022; 90
4050.36Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio
Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones
ACS Catalysis, 2013, 3, 3086
4508609 CIFC12 H14 Au Cl2 N3 O3 SP 1 21/n 19.717; 12.6841; 13.5632
90; 108.02; 90
1589.68Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio
Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones
ACS Catalysis, 2013, 3, 3086
4510840 CIFC17 H26 Cl N OP 1 21/c 111.898; 9.901; 27.23
90; 101.02; 90
3149Torres, Eva; Fernández, Roser; Miquet, Stéphanie; Font-Bardia, Mercè; Vanderlinden, Evelien; Naesens, Lieve; Vázquez, Santiago
Synthesis and Anti-influenza A Virus Activity of 2,2-Dialkylamantadines and Related Compounds
ACS Medicinal Chemistry Letters, 2012, 3, 1065
4511650 CIFC33 H26 Cu2 N3 O10.5P 1 21/m 110.2527; 18.973; 16.977
90; 100.46; 90
3247.6Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.
Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism
Crystal Growth & Design, 2003, 3, 513
4511651 CIFC25 H24 Cu2 N4 O9P 1 21/n 18.2043; 14.97; 10.6012
90; 90.191; 90
1302Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.
Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism
Crystal Growth & Design, 2003, 3, 513
4511652 CIFC18 H10 Cu N O5P 4/n c c :218.7912; 18.7912; 16.8886
90; 90; 90
5963.5Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.
Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism
Crystal Growth & Design, 2003, 3, 513
4511653 CIFC34 H26 Cl2 Cu2 N2 O8C 1 c 119.5148; 12.7678; 14.3466
90; 114.133; 90
3262.2Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.
Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism
Crystal Growth & Design, 2003, 3, 513
4511654 CIFC22 H16 Cu2 O10 S4C 1 2/c 115.637; 15.43; 13.332
90; 116.692; 90
2873.9Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.
Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism
Crystal Growth & Design, 2003, 3, 513
4511655 CIFC26 H26 Cu2 N4 O9P 1 21/n 18.4851; 14.639; 11.1455
90; 93.392; 90
1382Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.
Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism
Crystal Growth & Design, 2003, 3, 513
4511656 CIFC30 H28 Cu2 N2 O12P 4/n c c :218.8743; 18.8743; 17.356
90; 90; 90
6182.9Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.
Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism
Crystal Growth & Design, 2003, 3, 513
4511657 CIFC10 H10 Br2 Cl4 Cu N2C 1 2/c 112.938; 9.616; 13.784
90; 91.75; 90
1714.1Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan
The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions
Crystal Growth & Design, 2003, 3, 301
4511658 CIFC10 H10 Br2 Cl4 Cu N2P -17.5639; 7.815; 15.5441
82.11; 78.869; 67.06
828.3Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan
The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions
Crystal Growth & Design, 2003, 3, 301
4511659 CIFC10 H10 Br6 Cu N2P -16.501; 8.573; 16.192
89.76; 89.67; 78.7
884.9Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan
The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions
Crystal Growth & Design, 2003, 3, 301
4511660 CIFC10 H10 Br2 Cl4 Cu N2P 1 21/c 17.7752; 27.963; 8.7233
90; 116.251; 90
1701Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan
The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions
Crystal Growth & Design, 2003, 3, 301
4511661 CIFC10 H10 Br6 Cu N2C 1 2/c 116.904; 7.7659; 14.0292
90; 98.189; 90
1822.9Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan
The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions
Crystal Growth & Design, 2003, 3, 301
4513648 CIFGd K O12 P4C 1 2/c 17.875; 12.431; 10.537
90; 110.94; 90
963.384Ettis, H.; Mhiri, T.; Naili, H.
Synthesis and crystal structure of a new potassium-gadolinium cyclotetraphosphate, K Gd P4 O12
Crystal Growth and Design, 2003, 3, 599-602
4515854 CIFC25 H26 N2 O2 S2P -110.8541; 11.169; 12.0753
112.082; 94.659; 115.759
1168.1Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.
Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.
ACS omega, 2018, 3, 14341-14348
4515855 CIFC23 H22 N2 O2 S2P -110.0414; 15.0433; 15.5315
93.055; 107.51; 106.789
2116.64Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.
Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.
ACS omega, 2018, 3, 14341-14348
4515856 CIFC15 H15 N O2 SP 21 21 215.2088; 9.272; 28.3737
90; 90; 90
1370.34Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.
Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.
ACS omega, 2018, 3, 14341-14348
4515857 CIFC28 H32 B N S2P 1 21/n 116.9687; 9.905; 17.5869
90; 117.124; 90
2630.8Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua
Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.
ACS omega, 2018, 3, 12730-12736
4515858 CIFC40 H40 B N S2P 21 c n8.0507; 16.79; 25.3603
90; 90; 90
3428Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua
Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.
ACS omega, 2018, 3, 12730-12736
4515859 CIFC59 H44 Cl3 N2 O2 P2 RuC 1 2/c 127.173; 18.901; 23.601
90; 121.36; 90
10351Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta
Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.
ACS omega, 2018, 3, 13323-13334
4515860 CIFC41 H29 Br2 Cl2 N2 O2 Os PP -111.7693; 12.6976; 14.8599
97.091; 107.794; 113.557
1859.94Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta
Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.
ACS omega, 2018, 3, 13323-13334
4515861 CIFC41 H29 Br2 Cl2 N2 O2 Os PP -111.9432; 12.5744; 14.4985
99.789; 105.371; 115.439
1792.33Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta
Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.
ACS omega, 2018, 3, 13323-13334
4515862 CIFC67 H54 Cl2 N6 O8 RuP 1 21/c 119.593; 17.367; 18.153
90; 108.269; 90
5866Pal, Poulami; Mukherjee, Shruti; Maity, Dinesh; Baitalik, Sujoy
Synthesis, Photophysics, and Switchable Luminescence Properties of a New Class of Ruthenium(II)-Terpyridine Complexes Containing Photoisomerizable Styrylbenzene Units.
ACS omega, 2018, 3, 14526-14537
4515863 CIFC14 H9 Br2 N3P 1 21/c 17.3587; 10.0065; 18.5152
90; 95.836; 90
1356.3Chen, Zhengwang; Liang, Pei; Zheng, Jing; Zhou, Zhonggao; Wen, Xiaowei; Liu, Tanggao; Ye, Min
Cyanide-Free Ce(III)-Catalyzed Highly Efficient Synthesis of α-Iminonitriles from 2-Aminopyridines and Nitroalkenes via Intermolecular Dehydration Reaction.
ACS omega, 2018, 3, 12520-12529
4515864 CIFC20 H18 F N O4P 1 21/c 16.081; 12.345; 22.898
90; 93.02; 90
1717Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini
Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.
ACS omega, 2018, 3, 12349-12360
4515865 CIFC38 H28 N8 O10P 1 21/c 110.5066; 35.89; 9.3401
90; 103.633; 90
3422.8Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini
Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.
ACS omega, 2018, 3, 12349-12360

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