Crystallography Open Database

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1557098 CIFC42 H102 K N3 O12 Si6 TbP 1 21/n 111.1324; 27.081; 21.775
90; 103.924; 90
6371.8Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.
The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions
Chemical Science, 2020, 11, 2006-2014
1557099 CIFC78 H190 Gd2 K2 N6 O21 Si12C 1 2/c 125.507; 18.806; 25.726
90; 103.21; 90
12014Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.
The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions
Chemical Science, 2020, 11, 2006-2014
1557100 CIFC42 H102 K N3 O12 Si6 YP 1 21/n 111.0774; 27.0905; 21.7959
90; 104; 90
6346.5Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.
The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions
Chemical Science, 2020, 11, 2006-2014
1557101 CIFC78 H190 Ho2 K2 N6 O21 Si12C 1 2/c 125.514; 18.8; 25.712
90; 103.167; 90
12009Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.
The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions
Chemical Science, 2020, 11, 2006-2014
1557105 CIFC104 H96 B4 F16 N8 O4 Pd2I 1 2/a 128.36; 12.35285; 27.666
90; 94.6541; 90
9660.2Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.
Conformational control of Pd2L4 assemblies with unsymmetrical ligands
Chemical Science, 2020, 11, 677-683
1557106 CIFC123 H119 B4 F16 N17 O9 Pd2C 1 2/c 123.2193; 15.8896; 38.7298
90; 112.281; 90
13222.3Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.
Conformational control of Pd2L4 assemblies with unsymmetrical ligands
Chemical Science, 2020, 11, 677-683
1557107 CIFC16 H19 I N2P 1 21/c 16.29025; 7.62301; 32.0065
90; 90.1584; 90
1534.73Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang
A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells
Chemical Science, 2020, 11, 661-670
1557108 CIFC64 H87 I3 N5 O2P -114.6729; 15.6807; 16.4518
85.945; 73.88; 62.636
3222.3Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang
A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells
Chemical Science, 2020, 11, 661-670
1557109 CIFC17 H18 I N2P 21 21 216.9063; 7.9318; 30.157
90; 90; 90
1651.98Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang
A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells
Chemical Science, 2020, 11, 661-670
1557110 CIFC73 H92 N5 O2 UP -113.2857; 13.9411; 20.5686
103.573; 95.666; 116.252
3230.4Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye
Intra- and intermolecular interception of a photochemically generated terminal uranium nitride
Chemical Science, 2020, 11, 2381-2387
1557111 CIFC75 H88 N8 UP -113.1219; 13.5561; 20.3099
78.109; 76.264; 68.201
3230.5Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye
Intra- and intermolecular interception of a photochemically generated terminal uranium nitride
Chemical Science, 2020, 11, 2381-2387
1557112 CIFC76 H99 N6 O P UP 1 21/c 125.884; 13.889; 21.315
90; 110.09; 90
7197Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye
Intra- and intermolecular interception of a photochemically generated terminal uranium nitride
Chemical Science, 2020, 11, 2381-2387
1557113 CIFC75 H96 N6 UP 1 21/n 114.7113; 12.979; 36.748
90; 94.521; 90
6994.8Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye
Intra- and intermolecular interception of a photochemically generated terminal uranium nitride
Chemical Science, 2020, 11, 2381-2387
1557114 CIFC82 H101 N7 O UP -113.1812; 15.8571; 19.6743
110.71; 90.48; 105.002
3692.6Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye
Intra- and intermolecular interception of a photochemically generated terminal uranium nitride
Chemical Science, 2020, 11, 2381-2387
1557115 CIFC33 H26 O2P 21 21 2111.3659; 11.9259; 17.9314
90; 90; 90
2430.58Liu, Xihong; Zhang, Jingying; Bai, Lutao; Wang, Linqing; Yang, Dongxu; Wang, Rui
Catalytic asymmetric multiple dearomatizations of phenols enabled by a cascade 1,8-addition and Diels‒Alder reaction
Chemical Science, 2020, 11, 671-676
1557116 CIFC64 H88P -114.635; 18.1373; 22.0161
79.631; 75.201; 74.12
5396.2Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.
A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.
Chemical science, 2020, 11, 2051-2057
1557117 CIFC61 H39 B F24 N7 RhP -112.9083; 14.2464; 20.148
74.898; 79.351; 89.459
3512.7Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.
A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.
Chemical science, 2020, 11, 2051-2057
1557118 CIFC67 H62 B F24 N5 RhP -111.7452; 16.7896; 18.5777
84.062; 73.668; 70.038
3304.3Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.
A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.
Chemical science, 2020, 11, 2051-2057
1557119 CIFC32 H16 F8P -110.7497; 11.175; 11.5688
96.962; 96.945; 116.711
1207.93Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.
A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.
Chemical science, 2020, 11, 2051-2057
1557120 CIFC60 H51 B Cl2 F24 N5 RhC 1 c 119.4406; 17.1714; 19.516
90; 103.079; 90
6345.86Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.
A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.
Chemical science, 2020, 11, 2051-2057
1557121 CIFC54 H37 B F24 N5 RhC 1 2/c 116.95902; 18.45666; 34.7576
90; 98.7133; 90
10753.8Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.
A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.
Chemical science, 2020, 11, 2051-2057
1557122 CIFC68 H45 B F25 N5 O RhP -113.01044; 20.05043; 26.99316
90.7652; 97.9088; 106.636
6672.31Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.
A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.
Chemical science, 2020, 11, 2051-2057
1557123 CIFC21 H20 O6P 21 21 218.6977; 9.9164; 20.6241
90; 90; 90
1778.83Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.
Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis
Chemical Science, 2020, 11, 2175-2180
1557124 CIFC37 H32 Br2 O9P 1 21/c 115.4799; 12.7561; 17.7032
90; 110.471; 90
3275Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.
Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis
Chemical Science, 2020, 11, 2175-2180
1557125 CIFC20 H20 O6P 1 21/c 111.1979; 12.5205; 24.904
90; 93.401; 90
3485.5Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.
Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis
Chemical Science, 2020, 11, 2175-2180
1557126 CIFC18 H16 O5P 1 21 111.2987; 10.6941; 11.9582
90; 90.723; 90
1444.79Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.
Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis
Chemical Science, 2020, 11, 2175-2180
1557127 CIFC18 H18 O7P 1 21/n 113.6526; 9.772; 24.8831
90; 101.015; 90
3258.6Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.
Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis
Chemical Science, 2020, 11, 2175-2180
1557128 CIFC27 H29 N O8P 1 21 110.1038; 12.0566; 10.4153
90; 97.827; 90
1256.95Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.
Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis
Chemical Science, 2020, 11, 2175-2180
1557129 CIFC17 H20 O6P 1 21 17.091; 16.2621; 13.2704
90; 92.494; 90
1528.82Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.
Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis
Chemical Science, 2020, 11, 2175-2180
1557130 CIFC27 H29 N O8C 1 2 126.9187; 7.6682; 12.9814
90; 108.271; 90
2544.5Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.
Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis
Chemical Science, 2020, 11, 2175-2180
1557131 CIFC6 H5 D N2P b c a6.0431; 13.3857; 14.3592
90; 90; 90
1161.53Yang, Huan; Zhang, Li; Zhou, Fei-Yu; Jiao, Lei
An umpolung approach to the hydroboration of pyridines: a novel and efficient synthesis of N-H 1,4-dihydropyridines
Chemical Science, 2020, 11, 742-747
1557132 CIFIn8 Ir1.5 S5.25P 3 1 m13.9378; 13.9378; 8.2316
90; 90; 120
1384.9Khoury, Jason F.; He, Jiangang; Pfluger, Jonathan E.; Hadar, Ido; Balasubramanian, Mahalingam; Stoumpos, Constantinos C.; Zu, Rui; Gopalan, Venkatraman; Wolverton, Chris; Kanatzidis, Mercouri G.
Ir6In32S21, a polar, metal-rich semiconducting subchalcogenide
Chemical Science, 2020, 11, 870-878
1557142 CIFC18 H20 Cl N3 O PdP -17.5074; 11.2005; 11.2581
70.42; 78.131; 84.462
872.46Czyz, Milena L.; Weragoda, Geethika K.; Horngren, Tyra H.; Connell, Timothy U.; Gomez, Daniel; O'Hair, Richard A. J.; Polyzos, Anastasios
Photoexcited Pd(ii) auxiliaries enable light-induced control in C(sp3)‒H bond functionalisation
Chemical Science, 2020, 11, 2455-2463
1557165 CIFC100 H102 Au4 P2 Ru2 S8P 1 21/c 113.9904; 14.295; 48.384
90; 94.664; 90
9644.4Sun, Yongnan; Pei, Wei; Xie, Mingcai; Xu, Shun; Zhou, Si; Zhao, Jijun; Xiao, Kang; Zhu, Yan
Excitonic Au4Ru2(PPh3)2(SC2H4Ph)8 cluster for light-driven dinitrogen fixation
Chemical Science, 2020, 11, 2440-2447
1557189 CIFC22 H12 F6 N2 O3P 1 21/n 110.7749; 15.2475; 12.314
90; 108.515; 90
1918.4Malla, Javid Ahmad; Umesh, Rintu M.; Vijay, Amal; Mukherjee, Arnab; Lahiri, Mayurika; Talukdar, Pinaki
Apoptosis-inducing activity of a fluorescent barrel-rosette M+/Cl− channel
Chemical Science, 2020, 11, 2420-2428
1557197 CIFC58 H62 N6 O13 Zn2P 1 21/c 115.21; 16.731; 23.716
90; 104.529; 90
5842Fu, Guorui; He, Yani; Li, Wentao; Miao, Tiezheng; Lü, Xingqiang; He, Hongshan; Liu, Li; Wong, Wai-Yeung
Efficient white polymer light-emitting diodes (WPLEDs) based on covalent-grafting of [Zn2(MP)3(OAc)] into PVK
Chemical Science, 2020, 11, 2640-2646
1557206 CIFC20 H30 N2 O2P 1 21/c 111.012; 16.138; 11.225
90; 96.899; 90
1980Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei
n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media
Chemical Science, 2020, 11, 2707-2715
1557207 CIFC19 H29 N3 O2I 1 2/a 117.03; 10.58; 22.26
90; 103.23; 90
3904Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei
n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media
Chemical Science, 2020, 11, 2707-2715
1557228 CIFC101 H48 F40 N12 Ni O7P n a 2127.571; 19.7599; 19.1951
90; 90; 90
10457.5Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu
Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion
Chemical Science, 2020, 11, 2790-2795
1557229 CIFC89.5 H19 Cl Cu F40 N8 Ni O3C 1 2/c 147.886; 13.8742; 28.061
90; 119.602; 90
16210Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu
Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion
Chemical Science, 2020, 11, 2790-2795
1557230 CIFC89 H22 F40 N8 O3P -111.6188; 14.403; 26.7956
82.937; 77.65; 70.954
4133.7Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu
Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion
Chemical Science, 2020, 11, 2790-2795
1557231 CIFC97 H32 F40 N12 Ni O3P -114.057; 14.08; 24.646
92.257; 101.581; 108.23
4511.4Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu
Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion
Chemical Science, 2020, 11, 2790-2795
1557232 CIFC89 H18 Cu F40 N8 Ni O3P -114.0363; 14.1385; 24.8547
91.904; 101.174; 107.743
4586.3Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu
Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion
Chemical Science, 2020, 11, 2790-2795
1557234 CIFC61 H90 Au2 Cl2 F12 N2 P2 Sb2P 1 21/n 110.4398; 18.5854; 16.9617
90; 94.354; 90
3281.5Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier
Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes
Chemical Science, 2020, 11, 2750-2758
1557235 CIFC34 H50 Au Cl2 F6 N O P SbP 1 21/c 110.9121; 17.7644; 19.509
90; 104.904; 90
3654.5Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier
Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes
Chemical Science, 2020, 11, 2750-2758
1557236 CIFC33 H48 Au Cl2 F6 N O2 P SbP 1 21 114.8546; 12.2517; 20.5946
90; 99.848; 90
3692.9Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier
Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes
Chemical Science, 2020, 11, 2750-2758
1557237 CIFC21 H20 N4 O5P 1 21/c 115.4212; 13.4652; 9.4134
90; 102.515; 90
1908.2Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier
Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes
Chemical Science, 2020, 11, 2750-2758
1557238 CIFC29 H36 Au B10 Cl2 F6 P2 SbP 1 n 110.0221; 13.3021; 14.7578
90; 95.633; 90
1957.94Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier
Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes
Chemical Science, 2020, 11, 2750-2758
1557239 CIFC38 H47 Au F6 N2 O2 P SbP 1 21/c 110.7728; 11.143; 30.591
90; 98.974; 90
3627.2Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier
Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes
Chemical Science, 2020, 11, 2750-2758
1557253 CIFC54 H99 Am Br3 O3 P3P c a 2128.768; 11.456; 18.185
90; 90; 90
5993Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.
Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes
Chemical Science, 2020, 11, 2770-2782

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