Crystallography Open Database

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1556719 CIFC21 H19 N O SP -17.2702; 8.7819; 13.6782
98.564; 100.026; 104.633
814.84Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.
Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones
Chemical Science, 2020, 11, 1353-1360
1556720 CIFC18 H13 N OP 1 21/c 111.42288; 8.41061; 28.0872
90; 100.454; 90
2653.64Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.
Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones
Chemical Science, 2020, 11, 1353-1360
1556721 CIFC24 H19 N O SP 21 21 215.81156; 17.547; 18.1227
90; 90; 90
1848.07Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.
Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones
Chemical Science, 2020, 11, 1353-1360
1556722 CIFC19 H15 N OP 21 21 217.4225; 9.90594; 19.5109
90; 90; 90
1434.57Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.
Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones
Chemical Science, 2020, 11, 1353-1360
1556723 CIFC25 H21 N O SP -18.7543; 9.971; 11.6327
81.846; 74.281; 81.076
960.27Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.
Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones
Chemical Science, 2020, 11, 1353-1360
1556844 CIFC45 H57 B N2 O2P -19.6381; 11.485; 19.0369
85.238; 75.946; 75.838
1981.44Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Das, Arpan; Ahmed, Jasimuddin; P., Sreejyothi; Mandal, Swadhin K.
Transition metal-free catalytic reduction of primary amides using an abnormal NHC based potassium complex: integrating nucleophilicity with Lewis acidic activation
Chemical Science, 2020, 11, 1848-1854
1556845 CIFC244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4P -121.515; 24.1156; 35.321
81.037; 78.006; 68.595
16625Kang, Xi; Jin, Shan; Xiong, Lin; Wei, Xiao; Zhou, Manman; Qin, Chenwanli; Pei, Yong; Wang, Shuxin; Zhu, Manzhou
Nanocluster growth <i>via</i> "graft-onto": effects on geometric structures and optical properties.
Chemical science, 2020, 11, 1691-1697
1556846 CIFC11 H13 F9 O2P 21 21 215.6044; 9.5819; 26.472
90; 90; 90
1421.57Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien
Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.
Chemical science, 2020, 11, 1629-1635
1556847 CIFC7 H10 F6 O3P 1 21 14.9029; 9.8824; 10.7838
90; 100.543; 90
513.68Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien
Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.
Chemical science, 2020, 11, 1629-1635
1556860 CIFC45 H44 Cl F5 N4 NiP 1 21/c 119.2423; 10.9261; 21.5899
90; 106.046; 90
4362.3Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.
Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes
Chemical Science, 2020, 11, 1260-1268
1556861 CIFC45 H50 F5 N3 NiP 1 21/c 112.0799; 14.6404; 24.1769
90; 91.408; 90
4274.5Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.
Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes
Chemical Science, 2020, 11, 1260-1268
1556862 CIFC44 H45 F5 N3 NiP -19.5949; 11.8426; 18.3253
92.953; 104.293; 100.626
1972.9Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.
Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes
Chemical Science, 2020, 11, 1260-1268
1556863 CIFC45 H49 F5 N3 NiP n a 2114.1294; 16.6197; 15.8282
90; 90; 90
3716.9Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.
Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes
Chemical Science, 2020, 11, 1260-1268
1556864 CIFC40 H39 F5 N3 NiP 1 21/c 117.7017; 15.1269; 13.141
90; 109.571; 90
3315.5Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.
Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes
Chemical Science, 2020, 11, 1260-1268
1556865 CIFC12 H8 I2 N2 O7P n a 218.2007; 7.7793; 24.6164
90; 90; 90
1570.42Zhang, Guangtao; Wang, Yuanxun; Xu, Jun; Sun, Jiyun; Sun, Fengxia; Zhang, Yilin; Zhang, Chenglin; Du, Yunfei
A new hypervalent iodine(iii/v) oxidant and its application to the synthesis of 2H-azirines
Chemical Science, 2020, 11, 947-953
1556866 CIFC36 H50 B2P -19.035; 12.0924; 14.7514
92.899; 103.022; 103.134
1520.32Su, Xiaojun; Baker, J. J.; Martin, Caleb D.
Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.
Chemical science, 2020, 11, 126-131
1556867 CIFC32 H35 B OP 1 21/c 110.6036; 17.5824; 17.446
90; 125.621; 90
2643.98Su, Xiaojun; Baker, J. J.; Martin, Caleb D.
Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.
Chemical science, 2020, 11, 126-131
1556868 CIFC34 H31 B OP b c a10.0358; 12.1076; 43.226
90; 90; 90
5252.4Su, Xiaojun; Baker, J. J.; Martin, Caleb D.
Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.
Chemical science, 2020, 11, 126-131
1556869 CIFC61 H60 Cl2 N4 O2 RuP 1 21/c 111.5545; 17.3432; 25.028
90; 95.757; 90
4990.1Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming
Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.
Chemical science, 2020, 11, 2243-2259
1556870 CIFC64 H52 F4 N4 OsP -111.0536; 11.1353; 11.8926
97.46; 108.927; 107.647
1276.53Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming
Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.
Chemical science, 2020, 11, 2243-2259
1556871 CIFC59 H27 F20 Fe N5P 110.5317; 14.347; 17.434
76.71; 80.147; 84.826
2522.3Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming
Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.
Chemical science, 2020, 11, 2243-2259
1556872 CIFC59 H50 Cl3 D Fe N4P -111.3588; 13.5043; 16.5422
85.786; 84.24; 70.986
2384.6Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming
Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.
Chemical science, 2020, 11, 2243-2259
1556873 CIFC65.5 H39.5 F20 N8 RuC 1 2/c 124.815; 20.891; 24.043
90; 100.174; 90
12268Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming
Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.
Chemical science, 2020, 11, 2243-2259
1556874 CIFC48 H54 Cu F12 N6 O2 P2P 1 21/n 121.313; 9.951; 24.687
90; 107.778; 90
4986Ryan, Michael C.; Kim, Yeon Jung; Gerken, James B.; Wang, Fei; Aristov, Michael M.; Martinelli, Joseph R.; Stahl, Shannon S.
Mechanistic insights into copper-catalyzed aerobic oxidative coupling of N‒N bonds
Chemical Science, 2020, 11, 1170-1175
1556875 CIFC311.2 H387.9 B90.2 F18 Fe4 N55.5 O36 S6C 1 c 133.357; 32.3478; 45.8124
90; 102.32; 90
48294.4Lu, Zhenpin; Ronson, Tanya K.; Nitschke, Jonathan R.
Reversible reduction drives anion ejection and C60 binding within an FeII4L6 cage
Chemical Science, 2020, 11, 1097-1101
1556876 CIFC26 H42 N2 S8 Sn2P -17.7711; 10.3961; 12.6341
113.062; 96.284; 98.114
914.39Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
Chemical Science, 2020, 11, 1066-1078
1556877 CIFC120 H88 B2 F48 Fe2 O2 S8 Sn2P 1 21/c 112.734; 31.568; 18.543
90; 107.358; 90
7115Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
Chemical Science, 2020, 11, 1066-1078
1556878 CIFC57 H53.5 B F24 N0.5 O0.5 S8 Sn2P 1 21/c 19.5804; 23.505; 30.294
90; 97.92; 90
6756.8Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
Chemical Science, 2020, 11, 1066-1078
1556879 CIFC122 H72 B2 F48 Ni2 P4 S8C 1 2/c 140.752; 18.985; 17.7197
90; 107.903; 90
13045.5Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
Chemical Science, 2020, 11, 1066-1078
1556880 CIFC90 H60 B F24 Ni2 P4 S8P -114.1624; 18.3974; 20.189
94.073; 103.397; 106.515
4852.9Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
Chemical Science, 2020, 11, 1066-1078
1556881 CIFC102 H92 B2 F48 O4 S8 Sn2P -112.9111; 15.863; 16.368
88.537; 88.979; 69.195
3132.6Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
Chemical Science, 2020, 11, 1066-1078
1556882 CIFC106 H68 B F24 Fe2 P4 Pd2 S8P -113.503; 19.054; 28.239
105.082; 91.975; 90.73
7009Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
Chemical Science, 2020, 11, 1066-1078
1556883 CIFC540 H360 B6 F144 P24 Pd12 S48P -129.421; 31.324; 35.123
92.011; 91.984; 99.304
31897Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.
Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds
Chemical Science, 2020, 11, 1066-1078
1556884 CIFC40 H36 F6 N3 O3 PP 1 21 18.20579; 29.4208; 16.5731
90; 93.223; 90
3994.76Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme
Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region
Chemical Science, 2020, 11, 1165-1169
1556885 CIFC61 H46 F6 N5 O2 PC 1 2/c 127.6234; 16.7146; 21.7661
90; 106.545; 90
9633.6Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme
Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region
Chemical Science, 2020, 11, 1165-1169
1556886 CIFC95 H78 Cl6 F12 N6 O2 P2P 1 21/c 111.678; 12.9347; 27.785
90; 90.912; 90
4196.4Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme
Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region
Chemical Science, 2020, 11, 1165-1169
1556900 CIFC62 H79 Cl2 N5 O6 Pt SI 1 2/a 126.7934; 12.4321; 39.1414
90; 106.494; 90
12501.4Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.
Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour
Chemical Science, 2020, 11, 1839-1847
1556901 CIFC67 H79 B2 F8 N7 O6 PtP -110.1982; 18.2063; 19.7708
105.665; 99.693; 96.105
3439.2Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.
Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour
Chemical Science, 2020, 11, 1839-1847
1556902 CIFC65 H76 F6 N6 O6 Pt SbP -111.78747; 15.5279; 22.4447
101.252; 102.144; 103.723
3769.49Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.
Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour
Chemical Science, 2020, 11, 1839-1847
1556903 CIFC66 H77 B F4 N8 O5 PtP 1 21/n 121.738; 14.9289; 21.8888
90; 107.531; 90
6773.5Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.
Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour
Chemical Science, 2020, 11, 1839-1847
1556904 CIFC69 H85 Ag F12 N6 O6 Pt Sb2P 1 21/n 118.7462; 15.4022; 27.6759
90; 104.791; 90
7726.1Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.
Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour
Chemical Science, 2020, 11, 1839-1847
1556905 CIFC60 H72 B F4 N5 O5 PtP -112.2375; 14.6363; 18.2789
81.118; 76.017; 74.098
3041.7Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.
Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour
Chemical Science, 2020, 11, 1839-1847
1556906 CIFC67 H77 Ag F15 N7 O5 Pt Sb2.5P -113.0371; 18.3984; 18.4639
88.81; 89.789; 83.438
4398.8Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.
Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour
Chemical Science, 2020, 11, 1839-1847
1556907 CIFC23 H24 N2 O5 SP 21 21 230.4605; 11.6596; 6.1159
90; 90; 90
2172.11Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael
Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.
Chemical science, 2020, 11, 1636-1642
1556908 CIFC20 H23 N3 O3P 21 21 217.191; 13.5045; 18.6644
90; 90; 90
1812.52Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael
Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.
Chemical science, 2020, 11, 1636-1642
1556909 CIFC20 H25 N3 O2P 1 21/n 16.8118; 17.5495; 15.1113
90; 91.427; 90
1805.9Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael
Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.
Chemical science, 2020, 11, 1636-1642
1556910 CIFC22 H21.25 N3 O2.125P 1 21 110.18405; 9.71457; 18.82762
90; 93.0169; 90
1860.1Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael
Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.
Chemical science, 2020, 11, 1636-1642
1556911 CIFC24 H21 F3 N2 O4 SP 21 21 2132.8358; 11.60538; 5.85758
90; 90; 90
2232.16Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael
Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.
Chemical science, 2020, 11, 1636-1642
1556912 CIFC22 H25 N3 O2P 1 21 112.4713; 9.02632; 17.84198
90; 92.8702; 90
2005.95Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael
Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.
Chemical science, 2020, 11, 1636-1642
1556913 CIFC20 H19 N3 OP 1 21 110.10659; 5.94958; 13.62038
90; 99.5974; 90
807.53Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael
Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.
Chemical science, 2020, 11, 1636-1642

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