Crystallography Open Database

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7115770 CIFC30 H27 F12 N5 O5 RuP 1 21/n 120.7821; 7.8915; 23.1429
90; 115.71; 90
3419.73Cooper W. Johnston; Travis R. Schwantje; Michael J. Ferguson; Robert McDonald; Robin G. Hicks
Metal coordination, and metal-ligand redox non-innocence, modulates allosteric C-N bond homolysis in an N-benzyl tetrazine
Chem.Commun., 2014, 50, 12542
7115771 CIFC5 H8 N6 O2P b c a9.9861; 9.1996; 16.6035
90; 90; 90
1525.33Steven P. Kelley; Patrick S. Barber; Peter H. K. Mullins; Robin D. Rogers
Structural clues to UO2^2+^/VO^2+^ competition in seawater extraction using amidoxime-based extractants
Chem.Commun., 2014, 50, 12504
7115772 CIFC10 H18 N12 O10 V2C 1 2/c 116.9496; 7.4133; 16.5253
90; 111.845; 90
1927.34Steven P. Kelley; Patrick S. Barber; Peter H. K. Mullins; Robin D. Rogers
Structural clues to UO2^2+^/VO^2+^ competition in seawater extraction using amidoxime-based extractants
Chem.Commun., 2014, 50, 12504
7115773 CIFC5 H16 N6 O9 UP 1 21/c 112.738; 21.4891; 10.819
90; 67.784; 90
2741.6Steven P. Kelley; Patrick S. Barber; Peter H. K. Mullins; Robin D. Rogers
Structural clues to UO2^2+^/VO^2+^ competition in seawater extraction using amidoxime-based extractants
Chem.Commun., 2014, 50, 12504
7115774 CIFC17 H21 N O3P 6511.2648; 11.2648; 21.2304
90; 90; 120
2333.1Dilip V. Patil; Hyun-Sub Park; Jaeyoung Koo; Jin Wook Han; Seunghoon Shin
Aerobic oxygenative cleavage of electron deficient C-C triple bonds in the gold-catalyzed cyclization of 1,6-enynes
Chem.Commun., 2014, 50, 12722
7115775 CIFC32 H30 N2 O5 S2P -111.7659; 13.1216; 19.8185
103.757; 92.1867; 107.097
2821.3Takuya Yokosaka; Tetsuhiro Nemoto; Hiroki Nakayama; Naoki Shiga; Yasumasa Hamada
Synthesis of nitrogen-containing fused-polycyclic compounds from tyramine derivatives using phenol dearomatization and cascade cyclization
Chem.Commun., 2014, 50, 12775
7115776 CIFC32 H30 N2 O5 S2P 1 21/c 110.76675; 17.892; 14.4006
90; 92.0238; 90
2772.38Takuya Yokosaka; Tetsuhiro Nemoto; Hiroki Nakayama; Naoki Shiga; Yasumasa Hamada
Synthesis of nitrogen-containing fused-polycyclic compounds from tyramine derivatives using phenol dearomatization and cascade cyclization
Chem.Commun., 2014, 50, 12775
7115777 CIFC38 H49 Cl N4 SiP 1 21/c 115.3901; 14.1529; 16.9834
90; 110.025; 90
3475.59Syed Usman Ahmad; Tibor Szilvasi; Shigeyoshi Inoue
A facile access to a novel NHC-stabilized silyliumylidene ion and C-H activation of phenylacetylene
Chem.Commun., 2014, 50, 12619
7115778 CIFC48 H42 SiC 1 2/c 126.3057; 8.3377; 34.2192
90; 99.146; 90
7409.85Syed Usman Ahmad; Tibor Szilvasi; Shigeyoshi Inoue
A facile access to a novel NHC-stabilized silyliumylidene ion and C-H activation of phenylacetylene
Chem.Commun., 2014, 50, 12619
7115779 CIFC20 H29 N3 OP 1 21/c 15.925; 21.571; 14.937
90; 98.009; 90
1890.45Merle Arrowsmith; William M. S. Shepherd; Michael S. Hill; Gabriele Kociok-Kohn
Alkaline earth catalysis for the 100% atom-efficient three component assembly of imidazolidin-2-ones
Chem.Commun., 2014, 50, 12676
7115780 CIFC28 H37 N3 OP -19.6521; 10.7206; 12.8289
101.305; 99.6262; 97.8647
1263.5Merle Arrowsmith; William M. S. Shepherd; Michael S. Hill; Gabriele Kociok-Kohn
Alkaline earth catalysis for the 100% atom-efficient three component assembly of imidazolidin-2-ones
Chem.Commun., 2014, 50, 12676
7115781 CIFC60 H80 Mg N6 O3P -110.1968; 10.6378; 25.6421
89.1862; 87.2201; 87.8363
2775.97Merle Arrowsmith; William M. S. Shepherd; Michael S. Hill; Gabriele Kociok-Kohn
Alkaline earth catalysis for the 100% atom-efficient three component assembly of imidazolidin-2-ones
Chem.Commun., 2014, 50, 12676
7115782 CIFC11 H10 B Br F2 N2P n m a12.4626; 6.6321; 13.828
90; 90; 90
1142.93Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung
Two-color emissive probes for click reactions
Chem.Commun., 2014, 50, 12694
7115783 CIFC11 H10 B F2 I N2P -17.3108; 8.5603; 10.3487
93.027; 95.908; 113.336
588.4Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung
Two-color emissive probes for click reactions
Chem.Commun., 2014, 50, 12694
7115784 CIFC16 H19 B F2 N2 SiP c a 2123.5959; 11.5341; 12.3552
90; 90; 90
3362.56Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung
Two-color emissive probes for click reactions
Chem.Commun., 2014, 50, 12694
7115785 CIFC16 H19 B F2 N2 SiP -17.0599; 9.2121; 13.9179
88.475; 76.337; 72.777
839.2Marcel Wirtz; Andreas Gruter; Philipp Rebmann; Tobias Dier; Dietrich A. Volmer; Volker Huch; Gregor Jung
Two-color emissive probes for click reactions
Chem.Commun., 2014, 50, 12694
7115786 CIFC28 H20 N4 Ni2 O2 S8 ZnP 3 1 c27.525; 27.525; 24.215
90; 90; 120
15888Thomas B. Faust; Pavel M. Usov; Deanna M. D'Alessandro; Cameron J. Kepert
Highly unusual interpenetration isomers of electroactive nickel bis(dithiolene) coordination frameworks
Chem.Commun., 2014, 50, 12772
7115787 CIFC40 H48 N8 Ni2 O4 S8 ZnC 1 2/c 115.35; 22.346; 15.4658
90; 107.269; 90
5065.8Thomas B. Faust; Pavel M. Usov; Deanna M. D'Alessandro; Cameron J. Kepert
Highly unusual interpenetration isomers of electroactive nickel bis(dithiolene) coordination frameworks
Chem.Commun., 2014, 50, 12772
7115788 CIFC15 H29 F15 Ga N4 Na P2C 1 2/c 131.23; 10.037; 18.142
90; 116.85; 90
5074Rajiv Bhalla; William Levason; Sajinder K. Luthra; Graeme McRobbie; Gillian Reid; George Sanderson; Wenjian Zhang
[GaF3(BzMe2-tacn)] - a neutral 'metalloligand' towards alkali metal and ammonium cations in water
Chem.Commun., 2014, 50, 12673
7115789 CIFC15 H25 B F7 Ga N3 NaP 1 21/c 110.967; 15.793; 22.313
90; 90.057; 90
3864.7Rajiv Bhalla; William Levason; Sajinder K. Luthra; Graeme McRobbie; Gillian Reid; George Sanderson; Wenjian Zhang
[GaF3(BzMe2-tacn)] - a neutral 'metalloligand' towards alkali metal and ammonium cations in water
Chem.Commun., 2014, 50, 12673
7115790 CIFC30 H62 F18 Ga2 K2 N6 O6 P2P -19.5708; 10.2233; 13.1728
95.498; 91.765; 112.97
1178Rajiv Bhalla; William Levason; Sajinder K. Luthra; Graeme McRobbie; Gillian Reid; George Sanderson; Wenjian Zhang
[GaF3(BzMe2-tacn)] - a neutral 'metalloligand' towards alkali metal and ammonium cations in water
Chem.Commun., 2014, 50, 12673
7115791 CIFC14 H14 O2 S2P 1 21/c 15.7235; 7.5497; 15.671
90; 97.432; 90
671.47Jose A. Souto; Willian Lewis; Robert A. Stockman
Isolation of stable non cyclic 1,2-disulfoxides. Revisiting the thermolysis of S-aryl sulfinimines
Chem.Commun., 2014, 50, 12630
7115792 CIFC18 H22 O2 S2P -17.5624; 8.0233; 8.1209
84.776; 69.822; 61.946
406.65Jose A. Souto; Willian Lewis; Robert A. Stockman
Isolation of stable non cyclic 1,2-disulfoxides. Revisiting the thermolysis of S-aryl sulfinimines
Chem.Commun., 2014, 50, 12630
7115793 CIFC14 H14 S2P 1 21 17.5701; 5.7018; 14.6979
90; 94.682; 90
632.29Jose A. Souto; Willian Lewis; Robert A. Stockman
Isolation of stable non cyclic 1,2-disulfoxides. Revisiting the thermolysis of S-aryl sulfinimines
Chem.Commun., 2014, 50, 12630
7115794 CIFC45 H48 B F20 P SiP -111.6772; 12.5736; 17.0286
79.442; 75.102; 77.292
2335.61Thomas J. Herrington; Bryan J. Ward; Laurence R. Doyle; Joe McDermott; Andrew J. P. White; Patricia A. Hunt; Andrew E. Ashley
Bypassing a highly unstable frustrated Lewis pair: dihydrogen cleavage by a thermally robust silylium-phosphine adduct
Chem.Commun., 2014, 50, 12753
7115795 CIFC189 H20 N6 S6 Sc6P -110.9934; 13.7404; 17.238
91.347; 101.124; 105.539
2453.8Bin Liu; Hailin Cong; Xiaofang Li; Bing Yu; Lipiao Bao; Wenting Cai; Yunpeng Xie; Xing Lu
Highly regioselective 1,3-dipolar cycloaddition of diphenylnitrilimine to Sc3N@Ih-C80 affording a very stable, unprecedented pyrazole-ring fused derivative of endohedral metallofullerenes
Chem.Commun., 2014, 50, 12710
7115796 CIFC52 H40 O3 Si3P -110.688; 14.471; 17.002
104.62; 103.75; 103.5
2348Yuanjing Cai; Kerim Samedov; Haley Albright; Brian S. Dolinar; Ilia A. Guzei; Rongrong Hu; Chaocan Zhang; Ben Zhong Tang; Robert West
High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole derivatives
Chem.Commun., 2014, 50, 12714
7115797 CIFC60 H52 O4 Si4C 1 2/c 119.956; 28.804; 10.023
90; 102.117; 90
5633Yuanjing Cai; Kerim Samedov; Haley Albright; Brian S. Dolinar; Ilia A. Guzei; Rongrong Hu; Chaocan Zhang; Ben Zhong Tang; Robert West
High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole derivatives
Chem.Commun., 2014, 50, 12714
7115798 CIFC80 H60 O4 Si4P -111.226; 12.704; 13.186
115.699; 103.433; 101.434
1549.3Yuanjing Cai; Kerim Samedov; Haley Albright; Brian S. Dolinar; Ilia A. Guzei; Rongrong Hu; Chaocan Zhang; Ben Zhong Tang; Robert West
High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole derivatives
Chem.Commun., 2014, 50, 12714
7115799 CIFC60 H52 O4 Si4P -112.373; 12.616; 18.679
75.714; 73.48; 66.738
2538Yuanjing Cai; Kerim Samedov; Haley Albright; Brian S. Dolinar; Ilia A. Guzei; Rongrong Hu; Chaocan Zhang; Ben Zhong Tang; Robert West
High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole derivatives
Chem.Commun., 2014, 50, 12714
7115800 CIFC28 H22P 1 21/c 17.86; 5.7022; 22.413
90; 103.09; 90
978.4Yuanjing Cai; Kerim Samedov; Haley Albright; Brian S. Dolinar; Ilia A. Guzei; Rongrong Hu; Chaocan Zhang; Ben Zhong Tang; Robert West
High solid-state fluorescence in ring-shaped AEE-active tetraphenylsilole derivatives
Chem.Commun., 2014, 50, 12714
7115801 CIFC49 H68 F4 N2 P4 Pd2 S2P 1 21/n 117.9352; 15.2259; 19.6389
90; 102.132; 90
5243.2Chandra Mouli Palit; Daniel J. Graham; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov
Reduction of CO2 to free CO by a Pd(I)-Pd(I) dimer
Chem.Commun., 2014, 50, 12840
7115802 CIFC40 H52 Si2P 21 21 2114.4346; 15.1821; 17.0101
90; 90; 90
3727.7Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao
Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes
Chem.Commun., 2014, 50, 12828
7115803 CIFC38 H46 Cl4 N2 Si2C 1 2/c 135.551; 15.1706; 14.9907
90; 104.265; 90
7835.6Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao
Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes
Chem.Commun., 2014, 50, 12828
7115804 CIFC78 H102 N2 Si4P 21 21 2114.4307; 15.1331; 16.975
90; 90; 90
3707Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao
Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes
Chem.Commun., 2014, 50, 12828
7115805 CIFC38 H46 Cl4 N2 Si2C 1 2/c 135.4482; 15.1828; 14.9575
90; 103.908; 90
7814.2Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao
Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes
Chem.Commun., 2014, 50, 12828
7115806 CIFC38 H46 Cl4 N2 Si2C 1 2/c 135.3907; 15.1394; 14.9478
90; 104.143; 90
7766.2Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao
Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes
Chem.Commun., 2014, 50, 12828
7115807 CIFC36 H78 K2 Mg2 Si6P 1 21/c 112.0299; 10.6135; 19.818
90; 95.26; 90
2519.7Sharon E. Baillie; Tobias D. Bluemke; William Clegg; Alan R. Kennedy; Jan Klett; Luca Russo; Marco de Tullio; Eva Hevia
Potassium-alkyl magnesiates: synthesis, structures and Mg-H exchange applications of aromatic and heterocyclic substrates
Chem.Commun., 2014, 50, 12859
7115808 CIFC34 H90 K2 Mg N6 Si4P 21 21 2112.2327; 17.0823; 25.0444
90; 90; 90
5233.3Sharon E. Baillie; Tobias D. Bluemke; William Clegg; Alan R. Kennedy; Jan Klett; Luca Russo; Marco de Tullio; Eva Hevia
Potassium-alkyl magnesiates: synthesis, structures and Mg-H exchange applications of aromatic and heterocyclic substrates
Chem.Commun., 2014, 50, 12859
7115809 CIFC28 H76 K2 Mg N4 Si4P -111.0105; 14.4843; 14.9162
85.542; 75.58; 82.035
2279.34Sharon E. Baillie; Tobias D. Bluemke; William Clegg; Alan R. Kennedy; Jan Klett; Luca Russo; Marco de Tullio; Eva Hevia
Potassium-alkyl magnesiates: synthesis, structures and Mg-H exchange applications of aromatic and heterocyclic substrates
Chem.Commun., 2014, 50, 12859
7115810 CIFC18 H16 F N O3P 1 21/c 111.2895; 10.3789; 13.6515
90; 112.765; 90
1474.97Jia-Jia Cao; Xiang Wang; Shun-Yi Wang; Shun-Jun Ji
Mn(III)-mediated reactions of 2-isocyanobiaryl with 1,3-dicarbonyl compounds: efficient synthesis of 6-alkylated and 6-monofluoro-alkylated phenanthridines
Chem.Commun., 2014, 50, 12892
7115811 CIFC26 H33 Br O2P -111.0845; 12.9326; 15.6251
91.858; 97.458; 94.863
2210.8Irem Yalavac; Sarah E. Lyons; Michael R. Webb; David J. Procter
SmI2-H2O-mediated 5-exo/6-exo lactone radical cyclisation cascades
Chem.Commun., 2014, 50, 12863
7115812 CIFC18 H15 F3 OF d d 238.6451; 18.5006; 8.3788
90; 90; 90
5990.5Jun Xu; Yun-Long Wang; Tian-Jun Gong; Bin Xiao; Yao Fu
Copper-catalyzed endo-type trifluoromethylarylation of alkynes
Chem.Commun., 2014, 50, 12915
7115813 CIFC13 H16 N4 OP n 21 a9.252; 10.1218; 13.0422
90; 90; 90
1221.36Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed
Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels
Chem.Commun., 2014, 50, 12851
7115814 CIFC52 H64 Cl2 Cu N16 O4P 4/n19.9812; 19.9812; 6.9508
90; 90; 90
2775.1Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed
Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels
Chem.Commun., 2014, 50, 12851
7115815 CIFC80 H104 Cu N26 O14P -113.1; 13.3909; 13.441
75.123; 77.751; 74.712
2171.6Samuel J. James; Andrea Perrin; Christopher D. Jones; Dmitry S. Yufit; Jonathan W. Steed
Highly interlocked anion-bridged supramolecular networks from interrupted imidazole-urea gels
Chem.Commun., 2014, 50, 12851
7115816 CIFC18 H22 Au Cl N4 O2 P2 SP -17.2892; 10.5717; 13.9822
98.495; 90.191; 91.103
1065.42Maria J. Rodriguez-Alvarez; Cristian Vidal; Josefina Diez; Joaquin Garcia-Alvarez
Introducing deep eutectic solvents as biorenewable media for Au(I)-catalysed cycloisomerisation of upsilon-alkynoic acids: an unprecedented catalytic system
Chem.Commun., 2014, 50, 12927
7115817 CIFC42 H26 B F2 N5 S2P -18.2448; 13.187; 19.061
100.053; 95.703; 95.546
2016.7Xiaolin Zhu; Rui Liu; Yuhao Li; Hai Huang; Qiang Wang; Danfeng Wang; Xuan Zhu; Shishen Liu; Hongjun Zhu
An AIE-active boron-difluoride complex: multi-stimuli-responsive fluorescence and application in data security protection
Chem.Commun., 2014, 50, 12951
7115818 CIFC66 H74 Cr2 N4 O2P -110.547; 11.953; 13.565
65.131; 88.615; 67.984
1420.2Awal Noor; Sadaf Qayyum; Tobias Bauer; Stefan Schwarz; Birgit Weber; Rhett Kempe
CO2 and SO2 activation by a Cr-Cr quintuple bond
Chem.Commun., 2014, 50, 13127
7115819 CIFC50 H58 Cr2 N4 O4 S2P 1 21/n 110.829; 19.623; 23.199
90; 93.411; 90
4921Awal Noor; Sadaf Qayyum; Tobias Bauer; Stefan Schwarz; Birgit Weber; Rhett Kempe
CO2 and SO2 activation by a Cr-Cr quintuple bond
Chem.Commun., 2014, 50, 13127

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