Crystallography Open Database

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Searching journal of publication like 'Chemical science' volume of publication is 11

COD ID: 1552456
CIF file Formula: - C31 H23 F3 N2 O5 -
Comments: Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D. Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters Chemical Science 11(1) (2020) 241-247
Space group: P 21 21 21
Cell volume: 2656.33
Cell parameters: 8.97942; 10.9358; 27.051; 90; 90; 90;  

COD ID: 1552457
CIF file Formula: - C28 H26 F3 N3 O2 -
Comments: Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D. Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters Chemical Science 11(1) (2020) 241-247
Space group: P 1 21/c 1
Cell volume: 2469.98
Cell parameters: 19.7387; 13.4237; 9.3356; 90; 93.107; 90;  

COD ID: 1552458
CIF file Formula: - C28 H26 F3 N3 O2 -
Comments: Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D. Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters Chemical Science 11(1) (2020) 241-247
Space group: P 1 21 1
Cell volume: 6428.06
Cell parameters: 13.5575; 23.9425; 19.8418; 90; 93.584; 90;  

COD ID: 1552504
CIF file Formula: - C20 H22 B N -
Comments: Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science 11(1) (2020) 126-131
Space group: F d d 2
Cell volume: 13446.6
Cell parameters: 39.763; 37.788; 8.9491; 90; 90; 90;  

COD ID: 1552505
CIF file Formula: - C17 H17 B Cr O3 S -
Comments: Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science 11(1) (2020) 126-131
Space group: P 1 21/c 1
Cell volume: 1618.72
Cell parameters: 11.605; 9.0305; 15.7985; 90; 102.127; 90;  

COD ID: 1552506
CIF file Formula: - C28 H27 B O -
Comments: Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science 11(1) (2020) 126-131
Space group: P -1
Cell volume: 1095.91
Cell parameters: 8.7781; 10.9283; 12.3004; 70.809; 87.538; 79.597;  

COD ID: 1552507
CIF file Formula: - C27 H27 B O -
Comments: Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science 11(1) (2020) 126-131
Space group: C 1 c 1
Cell volume: 4252.4
Cell parameters: 13.441; 13.1854; 24.0772; 90; 94.762; 90;  

COD ID: 1552508
CIF file Formula: - C28 H29 B O -
Comments: Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science 11(1) (2020) 126-131
Space group: P 1 21/n 1
Cell volume: 2206.5
Cell parameters: 14.454; 7.2349; 21.474; 90; 100.708; 90;  

COD ID: 1552533
CIF file Formula: - C88 H76 F24 N14 P4 Ru2 -
Comments: Smitten, Kirsty L.; Fairbanks, Simon D.; Robertson, Craig C.; Bernardino de la Serna, Jorge; Foster, Simon J.; Thomas, Jim A. Ruthenium based antimicrobial theranostics - using nanoscopy to identify therapeutic targets and resistance mechanisms in <i>Staphylococcus aureus</i>. Chemical science 11(1) (2020) 70-79
Space group: P -1
Cell volume: 5320.9
Cell parameters: 13.885; 17.841; 22.499; 83.99; 73.932; 85.868;  

COD ID: 1552713
CIF file Formula: - C44 H42 F18 N6 P3 S2 -
Comments: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science 11(1) (2020) 107-112
Space group: P b a m
Cell volume: 2949.8
Cell parameters: 14.8195; 20.8662; 9.5394; 90; 90; 90;  

COD ID: 1552714
CIF file Formula: - C78 H73 F30 N11 P5 -
Comments: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science 11(1) (2020) 107-112
Space group: C m c 21
Cell volume: 8444
Cell parameters: 19.886; 20.698; 20.515; 90; 90; 90;  

COD ID: 1552715
CIF file Formula: - C48 H46 F18 N6 P3 -
Comments: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science 11(1) (2020) 107-112
Space group: P b a m
Cell volume: 2972.79
Cell parameters: 14.1423; 21.9108; 9.5937; 90; 90; 90;  

COD ID: 1552716
CIF file Formula: - C36 H32 F24 N4 P4 -
Comments: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science 11(1) (2020) 107-112
Space group: P 1 21/c 1
Cell volume: 2091.9
Cell parameters: 7.4563; 20.125; 13.948; 90; 91.831; 90;  

COD ID: 1552717
CIF file Formula: - C32 H28 F12 N4 P2 S2 -
Comments: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science 11(1) (2020) 107-112
Space group: P b a m
Cell volume: 2158.81
Cell parameters: 10.3821; 21.5348; 9.6558; 90; 90; 90;  

COD ID: 1552718
CIF file Formula: - C35 H31 F24 N5 P4 -
Comments: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science 11(1) (2020) 107-112
Space group: P -1
Cell volume: 4601.4
Cell parameters: 11.2904; 16.9439; 24.966; 75.157; 86.061; 86.58;  

COD ID: 1552719
CIF file Formula: - C34 H30 F12 N4 P2 S -
Comments: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science 11(1) (2020) 107-112
Space group: P b a m
Cell volume: 2193
Cell parameters: 10.266; 21.7433; 9.8244; 90; 90; 90;  

COD ID: 1552720
CIF file Formula: - C44 H42 F18 N6 P3 S -
Comments: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science 11(1) (2020) 107-112
Space group: P b a m
Cell volume: 2993.1
Cell parameters: 14.8597; 21.003; 9.5902; 90; 90; 90;  

COD ID: 1552721
CIF file Formula: - C18 H16.5 F12 N2.5 P2 S0.5 -
Comments: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science 11(1) (2020) 107-112
Space group: P -1
Cell volume: 2486.3
Cell parameters: 13.603; 13.8062; 16.0216; 101.314; 111.832; 107.987;  

COD ID: 1552722
CIF file Formula: - C47 H45 F18 N7 P3 -
Comments: Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical science 11(1) (2020) 107-112
Space group: P b a m
Cell volume: 2948.8
Cell parameters: 14.1183; 21.8905; 9.5412; 90; 90; 90;  

COD ID: 1552754
CIF file Formula: - Al B3 Cs F O6 -
Comments: Liu, Hongkun; Wang, Ying; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie CsAlB3O6F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability Chemical Science 11(3) (2020) 694-698
Space group: P n a 21
Cell volume: 679.2
Cell parameters: 8.064; 11.97; 7.036; 90; 90; 90;  

COD ID: 1552766
CIF file Formula: - C28 H22 N3 P -
Comments: Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science 11(1) (2020) 97-106
Space group: R 3 :H
Cell volume: 5851.3
Cell parameters: 34.841; 34.841; 5.566; 90; 90; 120;  

COD ID: 1552767
CIF file Formula: - C19 H17 N3 O P -
Comments: Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science 11(1) (2020) 97-106
Space group: P 21 21 21
Cell volume: 1812.1
Cell parameters: 9.0625; 10.9721; 18.2236; 90; 90; 90;  

COD ID: 1552768
CIF file Formula: - C19 H23 O3 P -
Comments: Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science 11(1) (2020) 97-106
Space group: P 1 21 1
Cell volume: 866.95
Cell parameters: 8.3114; 10.1411; 10.8128; 90; 107.963; 90;  

COD ID: 1552769
CIF file Formula: - C24 H32 N O2 P S -
Comments: Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science 11(1) (2020) 97-106
Space group: P 1 21 1
Cell volume: 1187.66
Cell parameters: 6.0745; 19.8094; 9.9683; 90; 98.06; 90;  

COD ID: 1552770
CIF file Formula: - C16 H18 Au Cl3 P -
Comments: Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science 11(1) (2020) 97-106
Space group: P -1
Cell volume: 931.5
Cell parameters: 8.6866; 10.7017; 11.1556; 72.428; 86.595; 70.591;  

COD ID: 1552771
CIF file Formula: - C36 H33 Cl N3 O3 P -
Comments: Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science 11(1) (2020) 97-106
Space group: P 1 21 1
Cell volume: 1637.8
Cell parameters: 14.421; 7.7894; 16.028; 90; 114.539; 90;  

COD ID: 1552772
CIF file Formula: - C15 H13 O P -
Comments: Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition. Chemical science 11(1) (2020) 97-106
Space group: P 21 21 21
Cell volume: 1340.43
Cell parameters: 7.6851; 12.5057; 13.9472; 90; 90; 90;  

COD ID: 1552854
CIF file Formula: - C18 H7 F9 -
Comments: Xie, Qiqiang; Zhu, Ziyue; Li, Lingchun; Ni, Chuanfa; Hu, Jinbo Controllable double CF2-insertion into sp2 C‒Cu bond using TMSCF3: a facile access to tetrafluoroethylene-bridged structures Chemical Science 11(1) (2020) 276-280
Space group: P -1
Cell volume: 739.7
Cell parameters: 7.427; 7.782; 13.74; 89.382; 89.146; 68.679;  

COD ID: 1552855
CIF file Formula: - C24 H32 N2 O3 S Si -
Comments: Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science 11(2) (2020) 389-395
Space group: I 1 2/a 1
Cell volume: 4768.29
Cell parameters: 14.4384; 16.0496; 20.713; 90; 96.573; 90;  

COD ID: 1552856
CIF file Formula: - C38 H36 N4 O12 Rh2 S2 -
Comments: Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science 11(2) (2020) 389-395
Space group: I 1 2/a 1
Cell volume: 4050.6
Cell parameters: 17.4067; 10.6112; 22.164; 90; 98.333; 90;  

COD ID: 1552876
CIF file Formula: - C39 H45 Au N4 O4 S -
Comments: Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science 11(2) (2020) 435-446
Space group: P -1
Cell volume: 1736.4
Cell parameters: 10.7063; 13.5187; 13.5554; 71.713; 76.289; 70.466;  

COD ID: 1552877
CIF file Formula: - C41 H52 Au Cl2 N3 -
Comments: Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science 11(2) (2020) 435-446
Space group: P b c a
Cell volume: 7314.59
Cell parameters: 10.4512; 18.0543; 38.7653; 90; 90; 90;  

COD ID: 1552878
CIF file Formula: - C39 H47 Au N2 S -
Comments: Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science 11(2) (2020) 435-446
Space group: P 1 21/c 1
Cell volume: 3272.5
Cell parameters: 12.6173; 13.9286; 19.607; 90; 108.245; 90;  

COD ID: 1552879
CIF file Formula: - C45 H51 Au N2 -
Comments: Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science 11(2) (2020) 435-446
Space group: P 1 21/c 1
Cell volume: 3637.6
Cell parameters: 12.6669; 17.4884; 17.3107; 90; 108.451; 90;  

COD ID: 1552880
CIF file Formula: - C40 H49 Au Cl2 N2 O -
Comments: Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science 11(2) (2020) 435-446
Space group: P b c a
Cell volume: 6987.9
Cell parameters: 10.0502; 17.6546; 39.3833; 90; 90; 90;  

COD ID: 1552881
CIF file Formula: - C79 H96 Au2 Cl2 N4 O4 S2 -
Comments: Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science 11(2) (2020) 435-446
Space group: P 1 21/c 1
Cell volume: 7220.9
Cell parameters: 21.965; 16.1816; 20.6249; 90; 99.929; 90;  

COD ID: 1552882
CIF file Formula: - C42 H53 Au N2 -
Comments: Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science 11(2) (2020) 435-446
Space group: P b c n
Cell volume: 8157.8
Cell parameters: 34.2921; 13.9716; 17.0268; 90; 90; 90;  

COD ID: 1552883
CIF file Formula: - C28 H24 O2 -
Comments: Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science 11(2) (2020) 494-498
Space group: P -1
Cell volume: 2109.4
Cell parameters: 9.5034; 10.6505; 21.889; 96.945; 102.069; 99.44;  

COD ID: 1552884
CIF file Formula: - C23 H20 O -
Comments: Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science 11(2) (2020) 494-498
Space group: I 1 2 1
Cell volume: 1698.27
Cell parameters: 17.3724; 5.5677; 18.8919; 90; 111.661; 90;  

COD ID: 1552885
CIF file Formula: - C18 H17 N O2 -
Comments: Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science 11(2) (2020) 494-498
Space group: P 21 21 21
Cell volume: 1418.9
Cell parameters: 9.0262; 10.7097; 14.6781; 90; 90; 90;  

COD ID: 1552886
CIF file Formula: - C23 H19 N O2 -
Comments: Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T. Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes. Chemical science 11(2) (2020) 494-498
Space group: P 21 21 21
Cell volume: 1695.89
Cell parameters: 5.5431; 17.2727; 17.7127; 90; 90; 90;  

COD ID: 1552946
CIF file Formula: - C23 H31 N O7 Si -
Comments: Yu, Haiyong; Zong, Yan; Xu, Tao Total synthesis of (−)-penicimutanin a and related congeners Chemical Science 11(3) (2020) 656-660
Space group: P 1 21 1
Cell volume: 1242.1
Cell parameters: 10.936; 9.071; 12.562; 90; 94.63; 90;  

COD ID: 1552947
CIF file Formula: - C45 H47 N4 O9 -
Comments: Yu, Haiyong; Zong, Yan; Xu, Tao Total synthesis of (−)-penicimutanin a and related congeners Chemical Science 11(3) (2020) 656-660
Space group: P 1 21 1
Cell volume: 1958.3
Cell parameters: 8.7818; 21.1435; 10.5555; 90; 92.327; 90;  

COD ID: 1552948
CIF file Formula: - C26 H12 Br2 N2 O6 -
Comments: Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes. Chemical science 11(2) (2020) 403-408
Space group: P 21 21 21
Cell volume: 2348.9
Cell parameters: 7.355; 12.9923; 24.5807; 90; 90; 90;  

COD ID: 1552949
CIF file Formula: - C16.05 H12.45 N O5 -
Comments: Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes. Chemical science 11(2) (2020) 403-408
Space group: I 1 2 1
Cell volume: 1691.83
Cell parameters: 15.0405; 8.4792; 13.8431; 90; 106.602; 90;  

COD ID: 1552950
CIF file Formula: - C66 H50 N2 O4 -
Comments: Dhbaibi, Kais; Favereau, Ludovic; Srebro-Hooper, Monika; Quinton, Cassandre; Vanthuyne, Nicolas; Arrico, Lorenzo; Roisnel, Thierry; Jamoussi, Bassem; Poriel, Cyril; Cabanetos, Clément; Autschbach, Jochen; Crassous, Jeanne Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push-pull organic systems. Chemical science 11(2) (2020) 567-576
Space group: P 1 21 1
Cell volume: 5028.7
Cell parameters: 15.2114; 15.0318; 22.042; 90; 93.831; 90;  

COD ID: 1552951
CIF file Formula: - C78 H19 N O S2 -
Comments: Liu, Kai-Qing; Wang, Jun-Jie; Yan, Xing-Xing; Niu, Chuang; Wang, Guan-Wu Regioselective electrosynthesis of tetra- and hexa-functionalized [60]fullerene derivatives with unprecedented addition patterns. Chemical science 11(2) (2020) 384-388
Space group: P 1 21/c 1
Cell volume: 4450.9
Cell parameters: 14.2115; 13.2334; 26.4184; 90; 116.384; 90;  

COD ID: 1556080
CIF file Formula: - C35 H38 Cl2 F6 Fe N4 O6 S2 -
Comments: Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics Chemical Science 11(3) (2020) 684-693
Space group: P 1 21 1
Cell volume: 1965.94
Cell parameters: 11.2529; 12.5689; 14.178; 90; 101.369; 90;  

COD ID: 1556081
CIF file Formula: - C38 H44 Cl4 F6 Fe N4 O6 S2 -
Comments: Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics Chemical Science 11(3) (2020) 684-693
Space group: P 21 21 21
Cell volume: 4287.9
Cell parameters: 11.265; 16.5488; 23.0009; 90; 90; 90;  

COD ID: 1556082
CIF file Formula: - C24 H26 N3 O -
Comments: Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics Chemical Science 11(3) (2020) 684-693
Space group: C 1 2 1
Cell volume: 1930.07
Cell parameters: 21.5973; 5.0981; 17.5377; 90; 91.771; 90;  

COD ID: 1556083
CIF file Formula: - C18 H21 N3 O -
Comments: Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics Chemical Science 11(3) (2020) 684-693
Space group: P 1 21 1
Cell volume: 1543.2
Cell parameters: 8.63; 15.205; 12.2; 90; 105.42; 90;  

COD ID: 1556084
CIF file Formula: - C22 H17 N O6 S -
Comments: Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen Persistent organic room temperature phosphorescence: what is the role of molecular dimers? Chemical Science 11(3) (2020) 833-838
Space group: P 21 21 21
Cell volume: 1904.61
Cell parameters: 5.761; 15.9645; 20.7087; 90; 90; 90;  

COD ID: 1556085
CIF file Formula: - C22 H17 N O4 S -
Comments: Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen Persistent organic room temperature phosphorescence: what is the role of molecular dimers? Chemical Science 11(3) (2020) 833-838
Space group: P n m a
Cell volume: 1900.8
Cell parameters: 6.6807; 19.9408; 14.2683; 90; 90; 90;  

COD ID: 1556261
CIF file Formula: - C13 H7 F6 N S -
Comments: Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D. A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes Chemical Science 11(3) (2020) 737-741
Space group: P 1 21 1
Cell volume: 636.35
Cell parameters: 9.5947; 4.8799; 13.6316; 90; 94.414; 90;  

COD ID: 1556262
CIF file Formula: - C24 H14 F4 N2 S -
Comments: Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D. A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes Chemical Science 11(3) (2020) 737-741
Space group: P 1 21/c 1
Cell volume: 1956.69
Cell parameters: 8.6198; 7.7249; 29.3919; 90; 91.201; 90;  

COD ID: 1556265
CIF file Formula: - C76 H94 Cl6 F6 N6 O10 Pt2 S2 -
Comments: Leung, Sam Ka-Ming; Chan, Alan Kwun-Wa; Leung, Sammual Yu-Lut; Leung, Ming-Yi; Yam, Vivian Wing-Wah Supramolecular assembly of bent dinuclear amphiphilic alkynylplatinum(ii) terpyridine complexes: diverse nanostructures through subtle tuning of the mode of molecular stacking. Chemical science 11(2) (2020) 499-507
Space group: P -1
Cell volume: 4246.8
Cell parameters: 13.4362; 18.3994; 20.2998; 106.666; 108.577; 103.771;  

COD ID: 1556406
CIF file Formula: - C54 H54 N18 O12 -
Comments: Nakashima, Kensuke; Shimizu, Takeshi; Kamakura, Yoshinobu; Hinokimoto, Akira; Kitagawa, Yasutaka; Yoshikawa, Hirofumi; Tanaka, Daisuke A new design strategy for redox-active molecular assemblies with crystalline porous structures for lithium-ion batteries. Chemical science 11(1) (2020) 37-43
Space group: P 1 21/c 1
Cell volume: 5600
Cell parameters: 16.615; 27.205; 13.426; 90; 112.678; 90;  

COD ID: 1556409
CIF file Formula: - C37 H47 B N3 O P -
Comments: Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science 11(3) (2020) 862-869
Space group: P 1 21/n 1
Cell volume: 3509.16
Cell parameters: 10.6925; 19.6374; 17.0321; 90; 101.118; 90;  

COD ID: 1556410
CIF file Formula: - C46 H58 B N4 P -
Comments: Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science 11(3) (2020) 862-869
Space group: P -1
Cell volume: 2101.57
Cell parameters: 10.6744; 13.4621; 14.8146; 82.534; 88.654; 84.679;  

COD ID: 1556411
CIF file Formula: - C31 H45 B N3 P -
Comments: Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science 11(3) (2020) 862-869
Space group: P 1 21/n 1
Cell volume: 6229.38
Cell parameters: 17.2385; 10.9928; 33.0859; 90; 96.506; 90;  

COD ID: 1556412
CIF file Formula: - C52 H72 B2 N4 P2 -
Comments: Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science 11(3) (2020) 862-869
Space group: P 1 21/n 1
Cell volume: 2536.47
Cell parameters: 13.0269; 14.1779; 14.8915; 90; 112.746; 90;  

COD ID: 1556413
CIF file Formula: - C36 H47 B N3 P -
Comments: Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science 11(3) (2020) 862-869
Space group: P 1 21/c 1
Cell volume: 3373.97
Cell parameters: 18.9679; 7.4054; 25.1568; 90; 107.29; 90;  

COD ID: 1556414
CIF file Formula: - C74 H113 B2 N6 O2 P2 -
Comments: Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science 11(3) (2020) 862-869
Space group: P -1
Cell volume: 3684.82
Cell parameters: 14.0563; 14.7947; 20.1864; 73.781; 76.257; 67.558;  

COD ID: 1556415
CIF file Formula: - C27 H36 B N2 O P -
Comments: Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M. Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene Chemical Science 11(3) (2020) 862-869
Space group: P 1 21/n 1
Cell volume: 2684.98
Cell parameters: 9.3904; 14.2038; 20.3914; 90; 99.177; 90;  

COD ID: 1556534
CIF file Formula: - C34.5 H29 Cl F6 N P -
Comments: Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures Chemical Science 11(4) (2020) 997-1005
Space group: P 1 21/n 1
Cell volume: 6121.7
Cell parameters: 11.2525; 9.2194; 59.1397; 90; 93.8053; 90;  

COD ID: 1556535
CIF file Formula: - C34 H28 F6 N P -
Comments: Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures Chemical Science 11(4) (2020) 997-1005
Space group: P 1 21/c 1
Cell volume: 2845.03
Cell parameters: 24.8939; 9.1783; 12.5794; 90; 98.168; 90;  

COD ID: 1556536
CIF file Formula: - C15 H13 N2 O5 Re -
Comments: Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M. Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery Chemical Science 11(5) (2020) 1216-1225
Space group: P 21 21 21
Cell volume: 1550.05
Cell parameters: 6.345; 14.5492; 16.7909; 90; 90; 90;  

COD ID: 1556537
CIF file Formula: - C13 H9 N2 O5 Re -
Comments: Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M. Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery Chemical Science 11(5) (2020) 1216-1225
Space group: P 1 21/c 1
Cell volume: 1328.36
Cell parameters: 9.1929; 13.3161; 11.3352; 90; 106.8; 90;  

COD ID: 1556538
CIF file Formula: - C15 H12 N O4 Re S -
Comments: Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M. Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery Chemical Science 11(5) (2020) 1216-1225
Space group: P 1 21/n 1
Cell volume: 1576.1
Cell parameters: 8.5304; 8.156; 22.7941; 90; 96.365; 90;  

COD ID: 1556539
CIF file Formula: - C20.5 H15 Cl N O5 Re -
Comments: Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M. Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery Chemical Science 11(5) (2020) 1216-1225
Space group: P 1 21/c 1
Cell volume: 1941.8
Cell parameters: 20.753; 7.0352; 13.7941; 90; 105.388; 90;  

COD ID: 1556540
CIF file Formula: - C13 H11 N2 O6 Re -
Comments: Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M. Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery Chemical Science 11(5) (2020) 1216-1225
Space group: P -1
Cell volume: 703.28
Cell parameters: 9.108; 9.5099; 9.7673; 70.669; 80.012; 61.781;  

COD ID: 1556629
CIF file Formula: - C15 H13 F -
Comments: Fu, Wai Chung; Kwong, Fuk Yee A denitrogenative palladium-catalyzed cascade for regioselective synthesis of fluorenes Chemical Science 11(5) (2020) 1411-1417
Space group: P 1 21/n 1
Cell volume: 1110.13
Cell parameters: 13.5004; 5.6062; 15.1666; 90; 104.738; 90;  

COD ID: 1556630
CIF file Formula: - C40 H50 Br N5 O5 -
Comments: Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science 11(5) (2020) 1418-1424
Space group: P 1 21/c 1
Cell volume: 3678.96
Cell parameters: 11.9227; 17.3502; 17.7857; 90; 90.611; 90;  

COD ID: 1556631
CIF file Formula: - C29 H27 Cl N2 O -
Comments: Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science 11(5) (2020) 1418-1424
Space group: P 1 21/c 1
Cell volume: 2351.26
Cell parameters: 10.8554; 18.2505; 12.2873; 90; 105.01; 90;  

COD ID: 1556632
CIF file Formula: - C46 H42 Br N3 O -
Comments: Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science 11(5) (2020) 1418-1424
Space group: P 1 21/n 1
Cell volume: 3691.98
Cell parameters: 10.2078; 19.152; 18.9514; 90; 94.804; 90;  

COD ID: 1556633
CIF file Formula: - C28 H29 N3 O -
Comments: Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science 11(5) (2020) 1418-1424
Space group: P 1 21/c 1
Cell volume: 2344.99
Cell parameters: 9.0448; 14.0503; 18.8685; 90; 102.053; 90;  

COD ID: 1556634
CIF file Formula: - C31 H31 Br N2 O -
Comments: Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science 11(5) (2020) 1418-1424
Space group: P 1 21/n 1
Cell volume: 2573.07
Cell parameters: 14.485; 10.8239; 16.4134; 90; 90.869; 90;  

COD ID: 1556635
CIF file Formula: - C39 H39 N5 O5 -
Comments: Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science 11(5) (2020) 1418-1424
Space group: P 1 21/c 1
Cell volume: 6792.46
Cell parameters: 11.80408; 18.74504; 31.2581; 90; 79.1361; 90;  

COD ID: 1556636
CIF file Formula: - C45 H39 Cl2 N3 O -
Comments: Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites Chemical Science 11(5) (2020) 1418-1424
Space group: P 1 21/n 1
Cell volume: 8055.96
Cell parameters: 13.58053; 20.7753; 29.2921; 90; 102.897; 90;  

COD ID: 1556642
CIF file Formula: - C50 H67 B2 P3 -
Comments: Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science 11(5) (2020) 1335-1341
Space group: P -1
Cell volume: 2184.47
Cell parameters: 10.6022; 10.6218; 20.1023; 94.418; 99.288; 100.371;  

COD ID: 1556643
CIF file Formula: - C34 H48 B2 Br P3 -
Comments: Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science 11(5) (2020) 1335-1341
Space group: P b c a
Cell volume: 6756.3
Cell parameters: 10.5062; 17.5469; 36.649; 90; 90; 90;  

COD ID: 1556644
CIF file Formula: - C34 H48 B2 Br P3 -
Comments: Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science 11(5) (2020) 1335-1341
Space group: P 1 21/n 1
Cell volume: 3256.2
Cell parameters: 11.8091; 16.5734; 17.4767; 90; 107.828; 90;  

COD ID: 1556645
CIF file Formula: - C40 H55 B2 Br N2 P2 -
Comments: Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science 11(5) (2020) 1335-1341
Space group: F d d 2
Cell volume: 16238.1
Cell parameters: 28.3736; 57.198; 10.0055; 90; 90; 90;  

COD ID: 1556646
CIF file Formula: - C58 H71 B2 N4 P -
Comments: Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science 11(5) (2020) 1335-1341
Space group: P -1
Cell volume: 2606.41
Cell parameters: 11.3635; 13.09; 19.2394; 89.968; 76.353; 70.181;  

COD ID: 1556647
CIF file Formula: - C26 H18 B F10 N -
Comments: Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science 11(6) (2020) 1542-1548
Space group: P 1 21/c 1
Cell volume: 2341.14
Cell parameters: 16.8585; 9.6751; 15.4623; 90; 111.832; 90;  

COD ID: 1556648
CIF file Formula: - C44 H30 B F10 P -
Comments: Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science 11(6) (2020) 1542-1548
Space group: P -1
Cell volume: 1751.34
Cell parameters: 8.3209; 11.319; 19.7803; 99.399; 98.04; 104.051;  

COD ID: 1556649
CIF file Formula: - C27 H20 B F10 N -
Comments: Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science 11(6) (2020) 1542-1548
Space group: P 21 21 21
Cell volume: 2397.57
Cell parameters: 9.724; 14.9525; 16.4897; 90; 90; 90;  

COD ID: 1556650
CIF file Formula: - C46 H38 B Cl2 F10 P -
Comments: Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science 11(6) (2020) 1542-1548
Space group: P 1 21/c 1
Cell volume: 4074.83
Cell parameters: 11.605; 20.1373; 17.8823; 90; 102.818; 90;  

COD ID: 1556651
CIF file Formula: - C46 H38 B Cl2 F10 P -
Comments: Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science 11(6) (2020) 1542-1548
Space group: P -1
Cell volume: 2009
Cell parameters: 11.1982; 11.5411; 16.5533; 96.789; 96.943; 106.576;  

COD ID: 1556652
CIF file Formula: - C39 H28 B F10 P -
Comments: Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science 11(6) (2020) 1542-1548
Space group: P 1 21/c 1
Cell volume: 3612.5
Cell parameters: 12.2953; 14.3056; 20.8746; 90; 100.3; 90;  

COD ID: 1556653
CIF file Formula: - C27 H21 B F10 -
Comments: Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science 11(6) (2020) 1542-1548
Space group: P 1 21/c 1
Cell volume: 2377.9
Cell parameters: 6.4255; 17.461; 21.2763; 90; 95.037; 90;  

COD ID: 1556654
CIF file Formula: - C40 H30 B F10 P -
Comments: Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science 11(6) (2020) 1542-1548
Space group: P -1
Cell volume: 3650.3
Cell parameters: 12.4783; 15.7635; 20.7617; 102.312; 93.184; 112.263;  

COD ID: 1556655
CIF file Formula: - C43 H24 B2 F20 N2 -
Comments: Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science 11(6) (2020) 1542-1548
Space group: P -1
Cell volume: 2022.9
Cell parameters: 9.0564; 10.3497; 21.915; 91.873; 96.63; 96.996;  

COD ID: 1556673
CIF file Formula: - C36 H23 Cu2 F14 N8 O8 P S4 -
Comments: Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. Chemical science 11(6) (2020) 1607-1616
Space group: P 1 21/c 1
Cell volume: 4400.83
Cell parameters: 19.7106; 9.9489; 22.7748; 90; 99.808; 90;  

COD ID: 1556674
CIF file Formula: - C42 H34 Cu2 F14 N8 O9 S4 -
Comments: Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. Chemical science 11(6) (2020) 1607-1616
Space group: P -1
Cell volume: 2574.23
Cell parameters: 12.5211; 14.8116; 15.6245; 76.518; 67.701; 76.651;  

COD ID: 1556675
CIF file Formula: - C43 H39 Cu2 F14 N8 O9 P S4 -
Comments: Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. Chemical science 11(6) (2020) 1607-1616
Space group: P -1
Cell volume: 2774.4
Cell parameters: 12.4499; 12.637; 18.5946; 89.354; 84.84; 72.243;  

COD ID: 1556676
CIF file Formula: - C45 H35 Cu2 F14 N9 O8 S4 -
Comments: Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. Chemical science 11(6) (2020) 1607-1616
Space group: P 21 21 21
Cell volume: 5177.4
Cell parameters: 10.918; 20.4455; 23.1939; 90; 90; 90;  

COD ID: 1556677
CIF file Formula: - C45 H35 Cu2 F14 N8 O8 P S4 -
Comments: Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex. Chemical science 11(6) (2020) 1607-1616
Space group: P 1 21/n 1
Cell volume: 5794.9
Cell parameters: 18.6915; 16.5896; 18.8035; 90; 96.346; 90;  

COD ID: 1556703
CIF file Formula: - C65.25 N4 O8 S2 -
Comments: Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes Chemical Science 11(6) (2020) 1503-1509
Space group: P -1
Cell volume: 15154.3
Cell parameters: 22.2613; 26.916; 28.2117; 83.387; 73.393; 69.33;  

COD ID: 1556704
CIF file Formula: - C37 N4 O8 S3 -
Comments: Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes Chemical Science 11(6) (2020) 1503-1509
Space group: P 1 21 1
Cell volume: 15347.2
Cell parameters: 22.0328; 21.2168; 33.589; 90; 102.198; 90;  

COD ID: 1556719
CIF file Formula: - C21 H19 N O S -
Comments: Ho, 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 11(5) (2020) 1353-1360
Space group: P -1
Cell volume: 814.84
Cell parameters: 7.2702; 8.7819; 13.6782; 98.564; 100.026; 104.633;  

COD ID: 1556720
CIF file Formula: - C18 H13 N O -
Comments: Ho, 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 11(5) (2020) 1353-1360
Space group: P 1 21/c 1
Cell volume: 2653.64
Cell parameters: 11.42288; 8.41061; 28.0872; 90; 100.454; 90;  

COD ID: 1556721
CIF file Formula: - C24 H19 N O S -
Comments: Ho, 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 11(5) (2020) 1353-1360
Space group: P 21 21 21
Cell volume: 1848.07
Cell parameters: 5.81156; 17.547; 18.1227; 90; 90; 90;  

COD ID: 1556722
CIF file Formula: - C19 H15 N O -
Comments: Ho, 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 11(5) (2020) 1353-1360
Space group: P 21 21 21
Cell volume: 1434.57
Cell parameters: 7.4225; 9.90594; 19.5109; 90; 90; 90;  

COD ID: 1556723
CIF file Formula: - C25 H21 N O S -
Comments: Ho, 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 11(5) (2020) 1353-1360
Space group: P -1
Cell volume: 960.27
Cell parameters: 8.7543; 9.971; 11.6327; 81.846; 74.281; 81.076;  

COD ID: 1556844
CIF file Formula: - C45 H57 B N2 O2 -
Comments: Bhunia, 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 11(7) (2020) 1848-1854
Space group: P -1
Cell volume: 1981.44
Cell parameters: 9.6381; 11.485; 19.0369; 85.238; 75.946; 75.838;  

COD ID: 1556845
CIF file Formula: - C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4 -
Comments: Kang, 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 11(6) (2020) 1691-1697
Space group: P -1
Cell volume: 16625
Cell parameters: 21.515; 24.1156; 35.321; 81.037; 78.006; 68.595;  

COD ID: 1556846
CIF file Formula: - C11 H13 F9 O2 -
Comments: Sperandio, 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 11(6) (2020) 1629-1635
Space group: P 21 21 21
Cell volume: 1421.57
Cell parameters: 5.6044; 9.5819; 26.472; 90; 90; 90;  

COD ID: 1556847
CIF file Formula: - C7 H10 F6 O3 -
Comments: Sperandio, 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 11(6) (2020) 1629-1635
Space group: P 1 21 1
Cell volume: 513.68
Cell parameters: 4.9029; 9.8824; 10.7838; 90; 100.543; 90;  

COD ID: 1556860
CIF file Formula: - C45 H44 Cl F5 N4 Ni -
Comments: Dong, 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 11(5) (2020) 1260-1268
Space group: P 1 21/c 1
Cell volume: 4362.3
Cell parameters: 19.2423; 10.9261; 21.5899; 90; 106.046; 90;  

COD ID: 1556861
CIF file Formula: - C45 H50 F5 N3 Ni -
Comments: Dong, 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 11(5) (2020) 1260-1268
Space group: P 1 21/c 1
Cell volume: 4274.5
Cell parameters: 12.0799; 14.6404; 24.1769; 90; 91.408; 90;  

COD ID: 1556862
CIF file Formula: - C44 H45 F5 N3 Ni -
Comments: Dong, 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 11(5) (2020) 1260-1268
Space group: P -1
Cell volume: 1972.9
Cell parameters: 9.5949; 11.8426; 18.3253; 92.953; 104.293; 100.626;  

COD ID: 1556863
CIF file Formula: - C45 H49 F5 N3 Ni -
Comments: Dong, 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 11(5) (2020) 1260-1268
Space group: P n a 21
Cell volume: 3716.9
Cell parameters: 14.1294; 16.6197; 15.8282; 90; 90; 90;  

COD ID: 1556864
CIF file Formula: - C40 H39 F5 N3 Ni -
Comments: Dong, 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 11(5) (2020) 1260-1268
Space group: P 1 21/c 1
Cell volume: 3315.5
Cell parameters: 17.7017; 15.1269; 13.141; 90; 109.571; 90;  

COD ID: 1556865
CIF file Formula: - C12 H8 I2 N2 O7 -
Comments: Zhang, 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 11(4) (2020) 947-953
Space group: P n a 21
Cell volume: 1570.42
Cell parameters: 8.2007; 7.7793; 24.6164; 90; 90; 90;  

COD ID: 1556866
CIF file Formula: - C36 H50 B2 -
Comments: Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science 11(1) (2020) 126-131
Space group: P -1
Cell volume: 1520.32
Cell parameters: 9.035; 12.0924; 14.7514; 92.899; 103.022; 103.134;  

COD ID: 1556867
CIF file Formula: - C32 H35 B O -
Comments: Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science 11(1) (2020) 126-131
Space group: P 1 21/c 1
Cell volume: 2643.98
Cell parameters: 10.6036; 17.5824; 17.446; 90; 125.621; 90;  

COD ID: 1556868
CIF file Formula: - C34 H31 B O -
Comments: Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science 11(1) (2020) 126-131
Space group: P b c a
Cell volume: 5252.4
Cell parameters: 10.0358; 12.1076; 43.226; 90; 90; 90;  

COD ID: 1556869
CIF file Formula: - C61 H60 Cl2 N4 O2 Ru -
Comments: Wang, 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 11(8) (2020) 2243-2259
Space group: P 1 21/c 1
Cell volume: 4990.1
Cell parameters: 11.5545; 17.3432; 25.028; 90; 95.757; 90;  

COD ID: 1556870
CIF file Formula: - C64 H52 F4 N4 Os -
Comments: Wang, 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 11(8) (2020) 2243-2259
Space group: P -1
Cell volume: 1276.53
Cell parameters: 11.0536; 11.1353; 11.8926; 97.46; 108.927; 107.647;  

COD ID: 1556871
CIF file Formula: - C59 H27 F20 Fe N5 -
Comments: Wang, 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 11(8) (2020) 2243-2259
Space group: P 1
Cell volume: 2522.3
Cell parameters: 10.5317; 14.347; 17.434; 76.71; 80.147; 84.826;  

COD ID: 1556872
CIF file Formula: - C59 H50 Cl3 D Fe N4 -
Comments: Wang, 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 11(8) (2020) 2243-2259
Space group: P -1
Cell volume: 2384.6
Cell parameters: 11.3588; 13.5043; 16.5422; 85.786; 84.24; 70.986;  

COD ID: 1556873
CIF file Formula: - C65.5 H39.5 F20 N8 Ru -
Comments: Wang, 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 11(8) (2020) 2243-2259
Space group: C 1 2/c 1
Cell volume: 12268
Cell parameters: 24.815; 20.891; 24.043; 90; 100.174; 90;  

COD ID: 1556874
CIF file Formula: - C48 H54 Cu F12 N6 O2 P2 -
Comments: Ryan, 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 11(4) (2020) 1170-1175
Space group: P 1 21/n 1
Cell volume: 4986
Cell parameters: 21.313; 9.951; 24.687; 90; 107.778; 90;  

COD ID: 1556875
CIF file Formula: - C311.2 H387.9 B90.2 F18 Fe4 N55.5 O36 S6 -
Comments: Lu, Zhenpin; Ronson, Tanya K.; Nitschke, Jonathan R. Reversible reduction drives anion ejection and C60 binding within an FeII4L6 cage Chemical Science 11(4) (2020) 1097-1101
Space group: C 1 c 1
Cell volume: 48294.4
Cell parameters: 33.357; 32.3478; 45.8124; 90; 102.32; 90;  

COD ID: 1556876
CIF file Formula: - C26 H42 N2 S8 Sn2 -
Comments: Xie, 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 11(4) (2020) 1066-1078
Space group: P -1
Cell volume: 914.39
Cell parameters: 7.7711; 10.3961; 12.6341; 113.062; 96.284; 98.114;  

COD ID: 1556877
CIF file Formula: - C120 H88 B2 F48 Fe2 O2 S8 Sn2 -
Comments: Xie, 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 11(4) (2020) 1066-1078
Space group: P 1 21/c 1
Cell volume: 7115
Cell parameters: 12.734; 31.568; 18.543; 90; 107.358; 90;  

COD ID: 1556878
CIF file Formula: - C57 H53.5 B F24 N0.5 O0.5 S8 Sn2 -
Comments: Xie, 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 11(4) (2020) 1066-1078
Space group: P 1 21/c 1
Cell volume: 6756.8
Cell parameters: 9.5804; 23.505; 30.294; 90; 97.92; 90;  

COD ID: 1556879
CIF file Formula: - C122 H72 B2 F48 Ni2 P4 S8 -
Comments: Xie, 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 11(4) (2020) 1066-1078
Space group: C 1 2/c 1
Cell volume: 13045.5
Cell parameters: 40.752; 18.985; 17.7197; 90; 107.903; 90;  

COD ID: 1556880
CIF file Formula: - C90 H60 B F24 Ni2 P4 S8 -
Comments: Xie, 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 11(4) (2020) 1066-1078
Space group: P -1
Cell volume: 4852.9
Cell parameters: 14.1624; 18.3974; 20.189; 94.073; 103.397; 106.515;  

COD ID: 1556881
CIF file Formula: - C102 H92 B2 F48 O4 S8 Sn2 -
Comments: Xie, 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 11(4) (2020) 1066-1078
Space group: P -1
Cell volume: 3132.6
Cell parameters: 12.9111; 15.863; 16.368; 88.537; 88.979; 69.195;  

COD ID: 1556882
CIF file Formula: - C106 H68 B F24 Fe2 P4 Pd2 S8 -
Comments: Xie, 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 11(4) (2020) 1066-1078
Space group: P -1
Cell volume: 7009
Cell parameters: 13.503; 19.054; 28.239; 105.082; 91.975; 90.73;  

COD ID: 1556883
CIF file Formula: - C540 H360 B6 F144 P24 Pd12 S48 -
Comments: Xie, 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 11(4) (2020) 1066-1078
Space group: P -1
Cell volume: 31897
Cell parameters: 29.421; 31.324; 35.123; 92.011; 91.984; 99.304;  

COD ID: 1556884
CIF file Formula: - C40 H36 F6 N3 O3 P -
Comments: Duwald, 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 11(4) (2020) 1165-1169
Space group: P 1 21 1
Cell volume: 3994.76
Cell parameters: 8.20579; 29.4208; 16.5731; 90; 93.223; 90;  

COD ID: 1556885
CIF file Formula: - C61 H46 F6 N5 O2 P -
Comments: Duwald, 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 11(4) (2020) 1165-1169
Space group: C 1 2/c 1
Cell volume: 9633.6
Cell parameters: 27.6234; 16.7146; 21.7661; 90; 106.545; 90;  

COD ID: 1556886
CIF file Formula: - C95 H78 Cl6 F12 N6 O2 P2 -
Comments: Duwald, 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 11(4) (2020) 1165-1169
Space group: P 1 21/c 1
Cell volume: 4196.4
Cell parameters: 11.678; 12.9347; 27.785; 90; 90.912; 90;  

COD ID: 1556900
CIF file Formula: - C62 H79 Cl2 N5 O6 Pt S -
Comments: Zhang, 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 11(7) (2020) 1839-1847
Space group: I 1 2/a 1
Cell volume: 12501.4
Cell parameters: 26.7934; 12.4321; 39.1414; 90; 106.494; 90;  

COD ID: 1556901
CIF file Formula: - C67 H79 B2 F8 N7 O6 Pt -
Comments: Zhang, 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 11(7) (2020) 1839-1847
Space group: P -1
Cell volume: 3439.2
Cell parameters: 10.1982; 18.2063; 19.7708; 105.665; 99.693; 96.105;  

COD ID: 1556902
CIF file Formula: - C65 H76 F6 N6 O6 Pt Sb -
Comments: Zhang, 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 11(7) (2020) 1839-1847
Space group: P -1
Cell volume: 3769.49
Cell parameters: 11.78747; 15.5279; 22.4447; 101.252; 102.144; 103.723;  

COD ID: 1556903
CIF file Formula: - C66 H77 B F4 N8 O5 Pt -
Comments: Zhang, 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 11(7) (2020) 1839-1847
Space group: P 1 21/n 1
Cell volume: 6773.5
Cell parameters: 21.738; 14.9289; 21.8888; 90; 107.531; 90;  

COD ID: 1556904
CIF file Formula: - C69 H85 Ag F12 N6 O6 Pt Sb2 -
Comments: Zhang, 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 11(7) (2020) 1839-1847
Space group: P 1 21/n 1
Cell volume: 7726.1
Cell parameters: 18.7462; 15.4022; 27.6759; 90; 104.791; 90;  

COD ID: 1556905
CIF file Formula: - C60 H72 B F4 N5 O5 Pt -
Comments: Zhang, 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 11(7) (2020) 1839-1847
Space group: P -1
Cell volume: 3041.7
Cell parameters: 12.2375; 14.6363; 18.2789; 81.118; 76.017; 74.098;  

COD ID: 1556906
CIF file Formula: - C67 H77 Ag F15 N7 O5 Pt Sb2.5 -
Comments: Zhang, 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 11(7) (2020) 1839-1847
Space group: P -1
Cell volume: 4398.8
Cell parameters: 13.0371; 18.3984; 18.4639; 88.81; 89.789; 83.438;  

COD ID: 1556907
CIF file Formula: - C23 H24 N2 O5 S -
Comments: Dean, 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 11(6) (2020) 1636-1642
Space group: P 21 21 2
Cell volume: 2172.11
Cell parameters: 30.4605; 11.6596; 6.1159; 90; 90; 90;  

COD ID: 1556908
CIF file Formula: - C20 H23 N3 O3 -
Comments: Dean, 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 11(6) (2020) 1636-1642
Space group: P 21 21 21
Cell volume: 1812.52
Cell parameters: 7.191; 13.5045; 18.6644; 90; 90; 90;  

COD ID: 1556909
CIF file Formula: - C20 H25 N3 O2 -
Comments: Dean, 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 11(6) (2020) 1636-1642
Space group: P 1 21/n 1
Cell volume: 1805.9
Cell parameters: 6.8118; 17.5495; 15.1113; 90; 91.427; 90;  

COD ID: 1556910
CIF file Formula: - C22 H21.25 N3 O2.125 -
Comments: Dean, 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 11(6) (2020) 1636-1642
Space group: P 1 21 1
Cell volume: 1860.1
Cell parameters: 10.18405; 9.71457; 18.82762; 90; 93.0169; 90;  

COD ID: 1556911
CIF file Formula: - C24 H21 F3 N2 O4 S -
Comments: Dean, 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 11(6) (2020) 1636-1642
Space group: P 21 21 21
Cell volume: 2232.16
Cell parameters: 32.8358; 11.60538; 5.85758; 90; 90; 90;  

COD ID: 1556912
CIF file Formula: - C22 H25 N3 O2 -
Comments: Dean, 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 11(6) (2020) 1636-1642
Space group: P 1 21 1
Cell volume: 2005.95
Cell parameters: 12.4713; 9.02632; 17.84198; 90; 92.8702; 90;  

COD ID: 1556913
CIF file Formula: - C20 H19 N3 O -
Comments: Dean, 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 11(6) (2020) 1636-1642
Space group: P 1 21 1
Cell volume: 807.53
Cell parameters: 10.10659; 5.94958; 13.62038; 90; 99.5974; 90;  

COD ID: 1556914
CIF file Formula: - C28 H30 N2 O2 -
Comments: Dean, 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 11(6) (2020) 1636-1642
Space group: P 21 21 21
Cell volume: 2348.65
Cell parameters: 8.33247; 15.71709; 17.93381; 90; 90; 90;  

COD ID: 1556915
CIF file Formula: - C24 H24 N2 O4 S -
Comments: Dean, 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 11(6) (2020) 1636-1642
Space group: P 21 21 21
Cell volume: 2163.2
Cell parameters: 6.0985; 11.5023; 30.8387; 90; 90; 90;  

COD ID: 1556992
CIF file Formula: - C18 H16 O4 -
Comments: Liang, Kangjiang; Li, Tao; Li, Na; Zhang, Yang; Shen, Lei; Ma, Zhixian; Xia, Chengfeng Redox-neutral photochemical Heck-type arylation of vinylphenols activated by visible light Chemical Science 11(8) (2020) 2130-2135
Space group: P b c n
Cell volume: 2883.2
Cell parameters: 9.7263; 11.8883; 24.935; 90; 90; 90;  

COD ID: 1556993
CIF file Formula: - C26 H24 N2 O2 S -
Comments: Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions. Chemical science 11(6) (2020) 1672-1676
Space group: P -1
Cell volume: 1236.26
Cell parameters: 10.6565; 11.1408; 12.3; 69.374; 76.912; 65.303;  

COD ID: 1556994
CIF file Formula: - C28 H26 N2 -
Comments: Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions. Chemical science 11(6) (2020) 1672-1676
Space group: P 21 21 21
Cell volume: 2136.4
Cell parameters: 9.072; 9.846; 23.918; 90; 90; 90;  

COD ID: 1556995
CIF file Formula: - C54 H31.2 F0.8 O8 Zn2 -
Comments: Lustig, William P.; Shen, Zeqing; Teat, Simon J.; Javed, Nasir; Velasco, Ever; O'Carroll, Deirdre M.; Li, Jing Rational design of a high-efficiency, multivariate metal‒organic framework phosphor for white LED bulbs Chemical Science 11(7) (2020) 1814-1824
Space group: C 1 2/c 1
Cell volume: 13533.1
Cell parameters: 37.1066; 31.0733; 11.8903; 90; 99.208; 90;  

COD ID: 1557024
CIF file Formula: - C38 H34 S4 -
Comments: Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents Chemical Science 11(7) (2020) 1825-1831
Space group: C 1 2/c 1
Cell volume: 3008.8
Cell parameters: 41.708; 5.7563; 12.67; 90; 98.46; 90;  

COD ID: 1557025
CIF file Formula: - C42 H42 S4 -
Comments: Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents Chemical Science 11(7) (2020) 1825-1831
Space group: P 1 21/c 1
Cell volume: 1685
Cell parameters: 23.82; 5.837; 12.5; 90; 104.133; 90;  

COD ID: 1557026
CIF file Formula: - C42 H42 S4 -
Comments: Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents Chemical Science 11(7) (2020) 1825-1831
Space group: P 1 21/c 1
Cell volume: 1659.6
Cell parameters: 22.15; 5.7413; 13.1188; 90; 95.85; 90;  

COD ID: 1557027
CIF file Formula: - C66 H30 Al3 Ba F89 O9 -
Comments: Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science 11(8) (2020) 2068-2076
Space group: P 1 c 1
Cell volume: 9468.1
Cell parameters: 28.173; 16.4313; 20.453; 90; 90.107; 90;  

COD ID: 1557028
CIF file Formula: - C52 H26 Al2 Ca F68 O7 -
Comments: Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science 11(8) (2020) 2068-2076
Space group: P 1 21 1
Cell volume: 7340
Cell parameters: 17.765; 20.654; 20.031; 90; 93.018; 90;  

COD ID: 1557029
CIF file Formula: - C36 H18 Al2 F55 In O6 -
Comments: Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science 11(8) (2020) 2068-2076
Space group: P -1
Cell volume: 5537.2
Cell parameters: 10.6319; 22.3961; 24.4869; 79.144; 79.696; 77.759;  

COD ID: 1557030
CIF file Formula: - C50 H22 Al2 F74 Mg N6 O8 -
Comments: Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science 11(8) (2020) 2068-2076
Space group: P 1
Cell volume: 5895.1
Cell parameters: 14.3953; 18.2606; 25.8315; 73.784; 74.37; 66.821;  

COD ID: 1557031
CIF file Formula: - C84 H34 Al4 F118 O12 Sr -
Comments: Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science 11(8) (2020) 2068-2076
Space group: P -1
Cell volume: 6278.6
Cell parameters: 13.8661; 20.2883; 23.0336; 80.031; 85.985; 79.942;  

COD ID: 1557032
CIF file Formula: - C84 H34 Al4 Ca F118 O12 -
Comments: Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science 11(8) (2020) 2068-2076
Space group: P -1
Cell volume: 6296.8
Cell parameters: 13.9542; 20.3286; 22.9128; 80.085; 84.743; 80.239;  

COD ID: 1557033
CIF file Formula: - C60 H26 Al3 Ca F87 O9 -
Comments: Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science 11(8) (2020) 2068-2076
Space group: P 1 21/c 1
Cell volume: 8773.4
Cell parameters: 23.429; 18.9075; 22.4874; 90; 118.27; 90;  

COD ID: 1557034
CIF file Formula: - C66 H30 Al3 F89 O9 Sr -
Comments: Schorpp, Marcel; Krossing, Ingo Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation. Chemical science 11(8) (2020) 2068-2076
Space group: P -1
Cell volume: 9387.7
Cell parameters: 13.5412; 25.3825; 27.3385; 90.017; 90.111; 92.474;  

COD ID: 1557045
CIF file Formula: - C17 H14 Cl N O2 -
Comments: Burg, Finn; Breitenlechner, Stefan; Jandl, Christian; Bach, Thorsten Enantioselective oxygenation of exocyclic methylene groups by a manganese porphyrin catalyst with a chiral recognition site Chemical Science 11(8) (2020) 2121-2129
Space group: P 21 21 21
Cell volume: 1394.63
Cell parameters: 5.3182; 10.94; 23.9705; 90; 90; 90;  

COD ID: 1557052
CIF file Formula: - C22 H28 N -
Comments: Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte Singlet oxygen stimulus for switchable functional organic cages Chemical Science 11(6) (2020) 1478-1484
Space group: P -1
Cell volume: 897.7
Cell parameters: 5.899; 7.547; 20.535; 83.465; 84.681; 82.512;  

COD ID: 1557053
CIF file Formula: - C28 H18 O2 -
Comments: Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte Singlet oxygen stimulus for switchable functional organic cages Chemical Science 11(6) (2020) 1478-1484
Space group: P 1 21/c 1
Cell volume: 973.06
Cell parameters: 13.0175; 9.329; 8.3512; 90; 106.37; 90;  

COD ID: 1557060
CIF file Formula: - C18 H19 N S Si -
Comments: Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science 11(7) (2020) 1912-1917
Space group: P -1
Cell volume: 873.5
Cell parameters: 8.52831; 10.39109; 11.21545; 117.584; 92.3119; 95.1854;  

COD ID: 1557061
CIF file Formula: - C17 H13 N O S -
Comments: Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science 11(7) (2020) 1912-1917
Space group: C 1 2/c 1
Cell volume: 2804.6
Cell parameters: 20.6204; 9.4103; 16.7239; 90; 120.205; 90;  

COD ID: 1557062
CIF file Formula: - C18 H15 N O S -
Comments: Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science 11(7) (2020) 1912-1917
Space group: P b c a
Cell volume: 2949.79
Cell parameters: 13.1964; 13.3812; 16.7048; 90; 90; 90;  

COD ID: 1557063
CIF file Formula: - C11 H9 N O S -
Comments: Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science 11(7) (2020) 1912-1917
Space group: P 1 21/c 1
Cell volume: 957.99
Cell parameters: 10.9143; 7.26579; 12.4737; 90; 104.425; 90;  

COD ID: 1557064
CIF file Formula: - C16 H21 N S Se Si -
Comments: Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science 11(7) (2020) 1912-1917
Space group: P 1 21/c 1
Cell volume: 1721.35
Cell parameters: 10.6588; 8.0663; 20.1272; 90; 95.886; 90;  

COD ID: 1557065
CIF file Formula: - C22 H23 N S -
Comments: Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science 11(7) (2020) 1912-1917
Space group: P 1 21/c 1
Cell volume: 1759.89
Cell parameters: 13.9373; 7.7203; 17.0136; 90; 105.984; 90;  

COD ID: 1557066
CIF file Formula: - C21 H20 S -
Comments: Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science 11(7) (2020) 1912-1917
Space group: P 1 21/n 1
Cell volume: 1563.83
Cell parameters: 7.5133; 25.6215; 8.2645; 90; 100.591; 90;  

COD ID: 1557067
CIF file Formula: - C10 H7 N S -
Comments: Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science 11(7) (2020) 1912-1917
Space group: P -1
Cell volume: 425.18
Cell parameters: 6.9027; 7.3743; 9.3503; 68.861; 73.292; 84.246;  

COD ID: 1557068
CIF file Formula: - C16 H11 N O S -
Comments: Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science 11(7) (2020) 1912-1917
Space group: P b c a
Cell volume: 2526.94
Cell parameters: 12.2557; 9.5626; 21.5616; 90; 90; 90;  

COD ID: 1557069
CIF file Formula: - C17 H17 N S -
Comments: Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science 11(7) (2020) 1912-1917
Space group: P 1 21/c 1
Cell volume: 1371.48
Cell parameters: 11.1885; 11.263; 12.1884; 90; 116.756; 90;  

COD ID: 1557075
CIF file Formula: - C55 H67 N3 O6 P2 Ru -
Comments: Artús Suàrez, Lluís; Jayarathne, Upul; Balcells, David; Bernskoetter, Wesley H.; Hazari, Nilay; Jaraiz, Martín; Nova, Ainara Rational selection of co-catalysts for the deaminative hydrogenation of amides. Chemical science 11(8) (2020) 2225-2230
Space group: P 1 21/n 1
Cell volume: 5106
Cell parameters: 17.5623; 13.934; 20.8795; 90; 92.113; 90;  

COD ID: 1557079
CIF file Formula: - C25 H23 N O3 -
Comments: Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones Chemical Science 11(9) (2020) 2401-2406
Space group: P 1 21 1
Cell volume: 962.352
Cell parameters: 12.77764; 5.95718; 12.86001; 90; 100.546; 90;  

COD ID: 1557080
CIF file Formula: - C23 H29 N O2 -
Comments: Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones Chemical Science 11(9) (2020) 2401-2406
Space group: P 21 21 21
Cell volume: 1977.36
Cell parameters: 10.3193; 10.5258; 18.2046; 90; 90; 90;  

COD ID: 1557081
CIF file Formula: - C25 H25 N O3 S -
Comments: Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones Chemical Science 11(9) (2020) 2401-2406
Space group: P 21 21 21
Cell volume: 2082.27
Cell parameters: 5.909; 12.8175; 27.4929; 90; 90; 90;  

COD ID: 1557082
CIF file Formula: - C24 H18 O3 -
Comments: He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science 11(7) (2020) 2001-2005
Space group: C 1 2/c 1
Cell volume: 3472.8
Cell parameters: 21.613; 12.1859; 13.5922; 90; 104.043; 90;  

COD ID: 1557083
CIF file Formula: - C26 H24 O6 -
Comments: He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science 11(7) (2020) 2001-2005
Space group: P 1 21/c 1
Cell volume: 2570
Cell parameters: 14.145; 7.441; 24.56; 90; 96.17; 90;  

COD ID: 1557084
CIF file Formula: - C22 H15 Cl O3 -
Comments: He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science 11(7) (2020) 2001-2005
Space group: P 1 21/n 1
Cell volume: 1737.14
Cell parameters: 16.2589; 6.7715; 16.4568; 90; 106.511; 90;  

COD ID: 1557085
CIF file Formula: - C25 H24 O7 -
Comments: He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science 11(7) (2020) 2001-2005
Space group: P 1 21/n 1
Cell volume: 2285.8
Cell parameters: 12.5579; 5.2167; 35.021; 90; 94.917; 90;  

COD ID: 1557086
CIF file Formula: - C25 H28 O8 -
Comments: He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science 11(7) (2020) 2001-2005
Space group: C 1 2/c 1
Cell volume: 4407.8
Cell parameters: 29.9022; 11.0935; 13.4816; 90; 99.73; 90;  

COD ID: 1557087
CIF file Formula: - C39 H34 F6 N3 O P -
Comments: Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens Chemical Science 11(9) (2020) 2494-2503
Space group: P 1 21/c 1
Cell volume: 3228.14
Cell parameters: 9.3923; 29.4208; 11.9664; 90; 102.511; 90;  

COD ID: 1557088
CIF file Formula: - C27 H22 N2 O -
Comments: Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens Chemical Science 11(9) (2020) 2494-2503
Space group: P 1 21/n 1
Cell volume: 2017.04
Cell parameters: 9.53897; 23.141; 9.5721; 90; 107.33; 90;  

COD ID: 1557089
CIF file Formula: - C78 H190 Dy2 K2 N6 O21 Si12 -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: C 1 2/c 1
Cell volume: 12034.4
Cell parameters: 25.4899; 18.8304; 25.7453; 90; 103.128; 90;  

COD ID: 1557090
CIF file Formula: - C42 H102 Dy K N3 O12 Si6 -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: P 1 21/n 1
Cell volume: 6359
Cell parameters: 11.0616; 27.199; 21.7721; 90; 103.885; 90;  

COD ID: 1557091
CIF file Formula: - C78 H190 K2 N6 O21 Si12 Tm2 -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: C 1 2/c 1
Cell volume: 11969
Cell parameters: 25.453; 18.757; 25.744; 90; 103.142; 90;  

COD ID: 1557092
CIF file Formula: - C42 H102 K N3 O12 Si6 Tm -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: P 21 21 21
Cell volume: 12745
Cell parameters: 21.956; 22.554; 25.737; 90; 90; 90;  

COD ID: 1557093
CIF file Formula: - C52 H124 Gd2 K2 N4 O16 Si8 -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: P -1
Cell volume: 3987.4
Cell parameters: 12.6614; 15.5498; 21.205; 94.4758; 94.0831; 105.746;  

COD ID: 1557094
CIF file Formula: - C36 H90 Gd K N5 O6 Si6 -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: R 3 2 :H
Cell volume: 5387
Cell parameters: 18.564; 18.564; 18.05; 90; 90; 120;  

COD ID: 1557095
CIF file Formula: - C42 H102 Er K N3 O12 Si6 -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: P 1 21/n 1
Cell volume: 6337
Cell parameters: 11.064; 27.08; 21.797; 90; 103.991; 90;  

COD ID: 1557096
CIF file Formula: - C42 H102 Ho K N3 O12 Si6 -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: P 1 21/n 1
Cell volume: 6347.9
Cell parameters: 11.0476; 27.157; 21.797; 90; 103.905; 90;  

COD ID: 1557097
CIF file Formula: - C42 H102 Gd K N3 O12 Si6 -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: P 1 21/n 1
Cell volume: 6368.1
Cell parameters: 11.1493; 27.059; 21.755; 90; 104.007; 90;  

COD ID: 1557098
CIF file Formula: - C42 H102 K N3 O12 Si6 Tb -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: P 1 21/n 1
Cell volume: 6371.8
Cell parameters: 11.1324; 27.081; 21.775; 90; 103.924; 90;  

COD ID: 1557099
CIF file Formula: - C78 H190 Gd2 K2 N6 O21 Si12 -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: C 1 2/c 1
Cell volume: 12014
Cell parameters: 25.507; 18.806; 25.726; 90; 103.21; 90;  

COD ID: 1557100
CIF file Formula: - C42 H102 K N3 O12 Si6 Y -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: P 1 21/n 1
Cell volume: 6346.5
Cell parameters: 11.0774; 27.0905; 21.7959; 90; 104; 90;  

COD ID: 1557101
CIF file Formula: - C78 H190 Ho2 K2 N6 O21 Si12 -
Comments: Ryan, 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 11(7) (2020) 2006-2014
Space group: C 1 2/c 1
Cell volume: 12009
Cell parameters: 25.514; 18.8; 25.712; 90; 103.167; 90;  

COD ID: 1557105
CIF file Formula: - C104 H96 B4 F16 N8 O4 Pd2 -
Comments: Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E. Conformational control of Pd2L4 assemblies with unsymmetrical ligands Chemical Science 11(3) (2020) 677-683
Space group: I 1 2/a 1
Cell volume: 9660.2
Cell parameters: 28.36; 12.35285; 27.666; 90; 94.6541; 90;  

COD ID: 1557106
CIF file Formula: - C123 H119 B4 F16 N17 O9 Pd2 -
Comments: Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E. Conformational control of Pd2L4 assemblies with unsymmetrical ligands Chemical Science 11(3) (2020) 677-683
Space group: C 1 2/c 1
Cell volume: 13222.3
Cell parameters: 23.2193; 15.8896; 38.7298; 90; 112.281; 90;  

COD ID: 1557107
CIF file Formula: - C16 H19 I N2 -
Comments: Guo, 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 11(3) (2020) 661-670
Space group: P 1 21/c 1
Cell volume: 1534.73
Cell parameters: 6.29025; 7.62301; 32.0065; 90; 90.1584; 90;  

COD ID: 1557108
CIF file Formula: - C64 H87 I3 N5 O2 -
Comments: Guo, 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 11(3) (2020) 661-670
Space group: P -1
Cell volume: 3222.3
Cell parameters: 14.6729; 15.6807; 16.4518; 85.945; 73.88; 62.636;  

COD ID: 1557109
CIF file Formula: - C17 H18 I N2 -
Comments: Guo, 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 11(3) (2020) 661-670
Space group: P 21 21 21
Cell volume: 1651.98
Cell parameters: 6.9063; 7.9318; 30.157; 90; 90; 90;  

COD ID: 1557110
CIF file Formula: - C73 H92 N5 O2 U -
Comments: Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science 11(9) (2020) 2381-2387
Space group: P -1
Cell volume: 3230.4
Cell parameters: 13.2857; 13.9411; 20.5686; 103.573; 95.666; 116.252;  

COD ID: 1557111
CIF file Formula: - C75 H88 N8 U -
Comments: Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science 11(9) (2020) 2381-2387
Space group: P -1
Cell volume: 3230.5
Cell parameters: 13.1219; 13.5561; 20.3099; 78.109; 76.264; 68.201;  

COD ID: 1557112
CIF file Formula: - C76 H99 N6 O P U -
Comments: Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science 11(9) (2020) 2381-2387
Space group: P 1 21/c 1
Cell volume: 7197
Cell parameters: 25.884; 13.889; 21.315; 90; 110.09; 90;  

COD ID: 1557113
CIF file Formula: - C75 H96 N6 U -
Comments: Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science 11(9) (2020) 2381-2387
Space group: P 1 21/n 1
Cell volume: 6994.8
Cell parameters: 14.7113; 12.979; 36.748; 90; 94.521; 90;  

COD ID: 1557114
CIF file Formula: - C82 H101 N7 O U -
Comments: Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science 11(9) (2020) 2381-2387
Space group: P -1
Cell volume: 3692.6
Cell parameters: 13.1812; 15.8571; 19.6743; 110.71; 90.48; 105.002;  

COD ID: 1557115
CIF file Formula: - C33 H26 O2 -
Comments: Liu, 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 11(3) (2020) 671-676
Space group: P 21 21 21
Cell volume: 2430.58
Cell parameters: 11.3659; 11.9259; 17.9314; 90; 90; 90;  

COD ID: 1557116
CIF file Formula: - C64 H88 -
Comments: Storey, 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 11(8) (2020) 2051-2057
Space group: P -1
Cell volume: 5396.2
Cell parameters: 14.635; 18.1373; 22.0161; 79.631; 75.201; 74.12;  

COD ID: 1557117
CIF file Formula: - C61 H39 B F24 N7 Rh -
Comments: Storey, 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 11(8) (2020) 2051-2057
Space group: P -1
Cell volume: 3512.7
Cell parameters: 12.9083; 14.2464; 20.148; 74.898; 79.351; 89.459;  

COD ID: 1557118
CIF file Formula: - C67 H62 B F24 N5 Rh -
Comments: Storey, 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 11(8) (2020) 2051-2057
Space group: P -1
Cell volume: 3304.3
Cell parameters: 11.7452; 16.7896; 18.5777; 84.062; 73.668; 70.038;  

COD ID: 1557119
CIF file Formula: - C32 H16 F8 -
Comments: Storey, 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 11(8) (2020) 2051-2057
Space group: P -1
Cell volume: 1207.93
Cell parameters: 10.7497; 11.175; 11.5688; 96.962; 96.945; 116.711;  

COD ID: 1557120
CIF file Formula: - C60 H51 B Cl2 F24 N5 Rh -
Comments: Storey, 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 11(8) (2020) 2051-2057
Space group: C 1 c 1
Cell volume: 6345.86
Cell parameters: 19.4406; 17.1714; 19.516; 90; 103.079; 90;  

COD ID: 1557121
CIF file Formula: - C54 H37 B F24 N5 Rh -
Comments: Storey, 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 11(8) (2020) 2051-2057
Space group: C 1 2/c 1
Cell volume: 10753.8
Cell parameters: 16.95902; 18.45666; 34.7576; 90; 98.7133; 90;  

COD ID: 1557122
CIF file Formula: - C68 H45 B F25 N5 O Rh -
Comments: Storey, 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 11(8) (2020) 2051-2057
Space group: P -1
Cell volume: 6672.31
Cell parameters: 13.01044; 20.05043; 26.99316; 90.7652; 97.9088; 106.636;  

COD ID: 1557123
CIF file Formula: - C21 H20 O6 -
Comments: Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science 11(8) (2020) 2175-2180
Space group: P 21 21 21
Cell volume: 1778.83
Cell parameters: 8.6977; 9.9164; 20.6241; 90; 90; 90;  

COD ID: 1557124
CIF file Formula: - C37 H32 Br2 O9 -
Comments: Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science 11(8) (2020) 2175-2180
Space group: P 1 21/c 1
Cell volume: 3275
Cell parameters: 15.4799; 12.7561; 17.7032; 90; 110.471; 90;  

COD ID: 1557125
CIF file Formula: - C20 H20 O6 -
Comments: Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science 11(8) (2020) 2175-2180
Space group: P 1 21/c 1
Cell volume: 3485.5
Cell parameters: 11.1979; 12.5205; 24.904; 90; 93.401; 90;  

COD ID: 1557126
CIF file Formula: - C18 H16 O5 -
Comments: Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science 11(8) (2020) 2175-2180
Space group: P 1 21 1
Cell volume: 1444.79
Cell parameters: 11.2987; 10.6941; 11.9582; 90; 90.723; 90;  

COD ID: 1557127
CIF file Formula: - C18 H18 O7 -
Comments: Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science 11(8) (2020) 2175-2180
Space group: P 1 21/n 1
Cell volume: 3258.6
Cell parameters: 13.6526; 9.772; 24.8831; 90; 101.015; 90;  

COD ID: 1557128
CIF file Formula: - C27 H29 N O8 -
Comments: Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science 11(8) (2020) 2175-2180
Space group: P 1 21 1
Cell volume: 1256.95
Cell parameters: 10.1038; 12.0566; 10.4153; 90; 97.827; 90;  

COD ID: 1557129
CIF file Formula: - C17 H20 O6 -
Comments: Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science 11(8) (2020) 2175-2180
Space group: P 1 21 1
Cell volume: 1528.82
Cell parameters: 7.091; 16.2621; 13.2704; 90; 92.494; 90;  

COD ID: 1557130
CIF file Formula: - C27 H29 N O8 -
Comments: Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science 11(8) (2020) 2175-2180
Space group: C 1 2 1
Cell volume: 2544.5
Cell parameters: 26.9187; 7.6682; 12.9814; 90; 108.271; 90;  

COD ID: 1557131
CIF file Formula: - C6 H5 D N2 -
Comments: Yang, 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 11(3) (2020) 742-747
Space group: P b c a
Cell volume: 1161.53
Cell parameters: 6.0431; 13.3857; 14.3592; 90; 90; 90;  

COD ID: 1557132
CIF file Formula: - In8 Ir1.5 S5.25 -
Comments: Khoury, 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 11(3) (2020) 870-878
Space group: P 3 1 m
Cell volume: 1384.9
Cell parameters: 13.9378; 13.9378; 8.2316; 90; 90; 120;  

COD ID: 1557142
CIF file Formula: - C18 H20 Cl N3 O Pd -
Comments: Czyz, 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 11(9) (2020) 2455-2463
Space group: P -1
Cell volume: 872.46
Cell parameters: 7.5074; 11.2005; 11.2581; 70.42; 78.131; 84.462;  

COD ID: 1557165
CIF file Formula: - C100 H102 Au4 P2 Ru2 S8 -
Comments: Sun, 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 11(9) (2020) 2440-2447
Space group: P 1 21/c 1
Cell volume: 9644.4
Cell parameters: 13.9904; 14.295; 48.384; 90; 94.664; 90;  

COD ID: 1557189
CIF file Formula: - C22 H12 F6 N2 O3 -
Comments: Malla, 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 11(9) (2020) 2420-2428
Space group: P 1 21/n 1
Cell volume: 1918.4
Cell parameters: 10.7749; 15.2475; 12.314; 90; 108.515; 90;  

COD ID: 1557197
CIF file Formula: - C58 H62 N6 O13 Zn2 -
Comments: Fu, 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 11(10) (2020) 2640-2646
Space group: P 1 21/c 1
Cell volume: 5842
Cell parameters: 15.21; 16.731; 23.716; 90; 104.529; 90;  

COD ID: 1557206
CIF file Formula: - C20 H30 N2 O2 -
Comments: Chen, 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 11(10) (2020) 2707-2715
Space group: P 1 21/c 1
Cell volume: 1980
Cell parameters: 11.012; 16.138; 11.225; 90; 96.899; 90;  

COD ID: 1557207
CIF file Formula: - C19 H29 N3 O2 -
Comments: Chen, 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 11(10) (2020) 2707-2715
Space group: I 1 2/a 1
Cell volume: 3904
Cell parameters: 17.03; 10.58; 22.26; 90; 103.23; 90;  

COD ID: 1557228
CIF file Formula: - C101 H48 F40 N12 Ni O7 -
Comments: Li, 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 11(10) (2020) 2790-2795
Space group: P n a 21
Cell volume: 10457.5
Cell parameters: 27.571; 19.7599; 19.1951; 90; 90; 90;  

COD ID: 1557229
CIF file Formula: - C89.5 H19 Cl Cu F40 N8 Ni O3 -
Comments: Li, 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 11(10) (2020) 2790-2795
Space group: C 1 2/c 1
Cell volume: 16210
Cell parameters: 47.886; 13.8742; 28.061; 90; 119.602; 90;  

COD ID: 1557230
CIF file Formula: - C89 H22 F40 N8 O3 -
Comments: Li, 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 11(10) (2020) 2790-2795
Space group: P -1
Cell volume: 4133.7
Cell parameters: 11.6188; 14.403; 26.7956; 82.937; 77.65; 70.954;  

COD ID: 1557231
CIF file Formula: - C97 H32 F40 N12 Ni O3 -
Comments: Li, 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 11(10) (2020) 2790-2795
Space group: P -1
Cell volume: 4511.4
Cell parameters: 14.057; 14.08; 24.646; 92.257; 101.581; 108.23;  

COD ID: 1557232
CIF file Formula: - C89 H18 Cu F40 N8 Ni O3 -
Comments: Li, 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 11(10) (2020) 2790-2795
Space group: P -1
Cell volume: 4586.3
Cell parameters: 14.0363; 14.1385; 24.8547; 91.904; 101.174; 107.743;  

COD ID: 1557234
CIF file Formula: - C61 H90 Au2 Cl2 F12 N2 P2 Sb2 -
Comments: Navarro, 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 11(10) (2020) 2750-2758
Space group: P 1 21/n 1
Cell volume: 3281.5
Cell parameters: 10.4398; 18.5854; 16.9617; 90; 94.354; 90;  

COD ID: 1557235
CIF file Formula: - C34 H50 Au Cl2 F6 N O P Sb -
Comments: Navarro, 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 11(10) (2020) 2750-2758
Space group: P 1 21/c 1
Cell volume: 3654.5
Cell parameters: 10.9121; 17.7644; 19.509; 90; 104.904; 90;  

COD ID: 1557236
CIF file Formula: - C33 H48 Au Cl2 F6 N O2 P Sb -
Comments: Navarro, 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 11(10) (2020) 2750-2758
Space group: P 1 21 1
Cell volume: 3692.9
Cell parameters: 14.8546; 12.2517; 20.5946; 90; 99.848; 90;  

COD ID: 1557237
CIF file Formula: - C21 H20 N4 O5 -
Comments: Navarro, 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 11(10) (2020) 2750-2758
Space group: P 1 21/c 1
Cell volume: 1908.2
Cell parameters: 15.4212; 13.4652; 9.4134; 90; 102.515; 90;  

COD ID: 1557238
CIF file Formula: - C29 H36 Au B10 Cl2 F6 P2 Sb -
Comments: Navarro, 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 11(10) (2020) 2750-2758
Space group: P 1 n 1
Cell volume: 1957.94
Cell parameters: 10.0221; 13.3021; 14.7578; 90; 95.633; 90;  

COD ID: 1557239
CIF file Formula: - C38 H47 Au F6 N2 O2 P Sb -
Comments: Navarro, 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 11(10) (2020) 2750-2758
Space group: P 1 21/c 1
Cell volume: 3627.2
Cell parameters: 10.7728; 11.143; 30.591; 90; 98.974; 90;  

COD ID: 1557253
CIF file Formula: - C54 H99 Am Br3 O3 P3 -
Comments: Windorff, 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 11(10) (2020) 2770-2782
Space group: P c a 21
Cell volume: 5993
Cell parameters: 28.768; 11.456; 18.185; 90; 90; 90;  

COD ID: 1557254
CIF file Formula: - C54 H99 Br3 Nd O3 P3 -
Comments: Windorff, 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 11(10) (2020) 2770-2782
Space group: P c a 21
Cell volume: 5946.8
Cell parameters: 28.7058; 11.4228; 18.1359; 90; 90; 90;  

COD ID: 1557255
CIF file Formula: - C54 H99 Br3 Ce O3 P3 -
Comments: Windorff, 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 11(10) (2020) 2770-2782
Space group: P c a 21
Cell volume: 6021.2
Cell parameters: 28.92; 11.434; 18.209; 90; 90; 90;  

COD ID: 1557256
CIF file Formula: - C54 H99 Br3 La O3 P3 -
Comments: Windorff, 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 11(10) (2020) 2770-2782
Space group: P c a 21
Cell volume: 6006.3
Cell parameters: 28.879; 11.4223; 18.2083; 90; 90; 90;  

COD ID: 1557257
CIF file Formula: - C54 H99 Br3 O3 P3 Pr -
Comments: Windorff, 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 11(10) (2020) 2770-2782
Space group: P c a 21
Cell volume: 5941.5
Cell parameters: 28.7155; 11.4126; 18.1299; 90; 90; 90;  

COD ID: 1557262
CIF file Formula: - C21 H21 F O2 -
Comments: Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration Chemical Science 11(10) (2020) 2759-2764
Space group: P 1 21 1
Cell volume: 813.41
Cell parameters: 6.512; 15.336; 8.7541; 90; 111.502; 90;  

COD ID: 1557263
CIF file Formula: - C22 H22 O2 -
Comments: Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration Chemical Science 11(10) (2020) 2759-2764
Space group: P 21 21 21
Cell volume: 1747.97
Cell parameters: 9.5439; 10.5734; 17.3218; 90; 90; 90;  

COD ID: 1557283
CIF file Formula: - C25 H30 N4 O3 -
Comments: Shi, Xiujuan; Yan, Neng; Niu, Guangle; Sung, Simon H. P.; Liu, Zhiyang; Liu, Junkai; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wang, Wen-Xiong; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong In vivo monitoring of tissue regeneration using a ratiometric lysosomal AIE probe Chemical Science 11(12) (2020) 3152-3163
Space group: P -1
Cell volume: 1120.43
Cell parameters: 6.6601; 7.4588; 23.5097; 94.931; 90.774; 105.499;  

COD ID: 1557284
CIF file Formula: - C60 H44 Mn4 N12 O52 Si W12 -
Comments: Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction Chemical Science 11(11) (2020) 3007-3015
Space group: C 1 2/c 1
Cell volume: 10091.7
Cell parameters: 24.8686; 23.1581; 17.7369; 90; 98.907; 90;  

COD ID: 1557285
CIF file Formula: - C49 H39 Mn3 Mo12 N11 O49 P -
Comments: Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction Chemical Science 11(11) (2020) 3007-3015
Space group: P -1
Cell volume: 4071.1
Cell parameters: 13.034; 15.6737; 20.2719; 79.875; 88.908; 87.011;  

COD ID: 1557286
CIF file Formula: - C49 H39 Mn3 N11 O49 P W12 -
Comments: Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction Chemical Science 11(11) (2020) 3007-3015
Space group: P -1
Cell volume: 4028.6
Cell parameters: 13.0328; 15.6142; 20.1424; 79.88; 89.029; 86.775;  

COD ID: 1557287
CIF file Formula: - C25 H22 N2 O3 -
Comments: Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles Chemical Science 11(11) (2020) 2888-2894
Space group: P 1 21 1
Cell volume: 1063.02
Cell parameters: 9.0919; 9.9836; 11.7719; 90; 95.822; 90;  

COD ID: 1557288
CIF file Formula: - C25 H22 N2 O3 -
Comments: Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles Chemical Science 11(11) (2020) 2888-2894
Space group: P 1 21/n 1
Cell volume: 2194
Cell parameters: 9.6576; 13.2796; 17.3578; 90; 99.745; 90;  

COD ID: 1557289
CIF file Formula: - C25 H22 N2 O3 -
Comments: Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles Chemical Science 11(11) (2020) 2888-2894
Space group: P -1
Cell volume: 984.41
Cell parameters: 7.8691; 9.8641; 13.184; 87.285; 85.531; 74.852;  

COD ID: 1557290
CIF file Formula: - C2 H Cl N4 -
Comments: Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines Chemical Science 11(11) (2020) 3042-3047
Space group: P b c a
Cell volume: 886.67
Cell parameters: 11.2724; 6.279; 12.5272; 90; 90; 90;  

COD ID: 1557291
CIF file Formula: - C8 H6 N4 O -
Comments: Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines Chemical Science 11(11) (2020) 3042-3047
Space group: P 1 21/c 1
Cell volume: 797.02
Cell parameters: 10.7358; 5.14454; 14.9437; 90; 105.056; 90;  

COD ID: 1557292
CIF file Formula: - C10 H7 N5 -
Comments: Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines Chemical Science 11(11) (2020) 3042-3047
Space group: F d d 2
Cell volume: 3565.3
Cell parameters: 38.7645; 11.93147; 7.70847; 90; 90; 90;  

COD ID: 1557293
CIF file Formula: - C9 H9 N7 O2 S2 -
Comments: Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines Chemical Science 11(11) (2020) 3042-3047
Space group: C 1 2/c 1
Cell volume: 2562.38
Cell parameters: 17.7417; 6.22991; 23.2377; 90; 93.9389; 90;  

COD ID: 1557294
CIF file Formula: - C2 H Br N4 -
Comments: Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines Chemical Science 11(11) (2020) 3042-3047
Space group: P b c a
Cell volume: 924.72
Cell parameters: 12.7468; 5.60166; 12.9507; 90; 90; 90;  

COD ID: 1557295
CIF file Formula: - C17 H21 N5 O5 -
Comments: Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines Chemical Science 11(11) (2020) 3042-3047
Space group: C 1 2 1
Cell volume: 1850.79
Cell parameters: 32.663; 5.161; 11.0162; 90; 94.704; 90;  

COD ID: 1557296
CIF file Formula: - C22 H39 Al Ge Si2 -
Comments: Albers, Lena; Tholen, Patrik; Schmidtmann, Marc; Müller, Thomas A germaaluminocene Chemical Science 11(11) (2020) 2982-2986
Space group: P 1 21/n 1
Cell volume: 2513.6
Cell parameters: 9.6414; 13.3432; 19.6279; 90; 95.4683; 90;  

COD ID: 1557298
CIF file Formula: - C6 H12 O6 -
Comments: Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence Chemical Science 11(11) (2020) 2926-2933
Space group: P 21 21 21
Cell volume: 758.91
Cell parameters: 7.7012; 7.7746; 12.6751; 90; 90; 90;  

COD ID: 1557299
CIF file Formula: - C5 H12 O4 -
Comments: Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence Chemical Science 11(11) (2020) 2926-2933
Space group: I -4
Cell volume: 325.29
Cell parameters: 6.0826; 6.0826; 8.792; 90; 90; 90;  

COD ID: 1557300
CIF file Formula: - C5 H10 O5 -
Comments: Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence Chemical Science 11(11) (2020) 2926-2933
Space group: P 21 21 21
Cell volume: 649.38
Cell parameters: 5.6107; 9.1858; 12.5998; 90; 90; 90;  

COD ID: 1557301
CIF file Formula: - C6 H12 O6 -
Comments: Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence Chemical Science 11(11) (2020) 2926-2933
Space group: P 21 21 21
Cell volume: 749.5
Cell parameters: 8.091; 9.212; 10.056; 90; 90; 90;  

COD ID: 1557331
CIF file Formula: - C203.82 H244.63 Cl7.63 N0 O40 -
Comments: Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P. Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes. Chemical science 11(10) (2020) 2614-2620
Space group: P -1
Cell volume: 4962.9
Cell parameters: 11.5721; 16.6408; 26.1539; 84.725; 81.758; 89.936;  

COD ID: 1557332
CIF file Formula: - C112.95 H130.95 Cl15.56 O28 -
Comments: Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P. Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes. Chemical science 11(10) (2020) 2614-2620
Space group: P 1
Cell volume: 3308.6
Cell parameters: 14.334; 15.534; 16.891; 69.752; 70.947; 76.995;  

COD ID: 1557333
CIF file Formula: - C106 H124 Cl6 O20 -
Comments: Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P. Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes. Chemical science 11(10) (2020) 2614-2620
Space group: P 1 21/n 1
Cell volume: 10377
Cell parameters: 19.6983; 20.2034; 26.3162; 90; 97.77; 90;  

COD ID: 1557334
CIF file Formula: - C108.36 H122.64 Cl2.26 O20 -
Comments: Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P. Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes. Chemical science 11(10) (2020) 2614-2620
Space group: P 1 21/c 1
Cell volume: 10699
Cell parameters: 21.532; 19.643; 25.299; 90; 90.699; 90;  

COD ID: 1557335
CIF file Formula: - C116.82 H140.82 Cl8.45 O28 -
Comments: Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P. Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes. Chemical science 11(10) (2020) 2614-2620
Space group: P -1
Cell volume: 6313.8
Cell parameters: 14.4911; 17.0462; 27.359; 72.867; 86.978; 77.872;  

COD ID: 1557336
CIF file Formula: - C76 H74 O11 -
Comments: Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P. Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes. Chemical science 11(10) (2020) 2614-2620
Space group: P -1
Cell volume: 3207.14
Cell parameters: 13.0381; 16.6752; 17.4483; 61.711; 79.037; 74.295;  

COD ID: 1557337
CIF file Formula: - C226.36 H257.54 O43.98 -
Comments: Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P. Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes. Chemical science 11(10) (2020) 2614-2620
Space group: P 1 21/c 1
Cell volume: 10580
Cell parameters: 21.154; 19.669; 25.429; 90; 90.27; 90;  

COD ID: 1557338
CIF file Formula: - C31 H53 B Eu N5 O17 -
Comments: Breen, Colum; Pal, Robert; Elsegood, Mark R. J.; Teat, Simon J.; Iza, Felipe; Wende, Kristian; Buckley, Benjamin R.; Butler, Stephen J. Time-resolved luminescence detection of peroxynitrite using a reactivity-based lanthanide probe Chemical Science 11(12) (2020) 3164-3170
Space group: P 1 21/n 1
Cell volume: 3839.7
Cell parameters: 13.2696; 15.8873; 18.2435; 90; 93.3; 90;  

COD ID: 1557341
CIF file Formula: - C15 H21 Cl0 N O2 -
Comments: Lin, Qianchi; Hu, Bowen; Xu, Xi; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming Chiral N,N′-dioxide/Mg(OTf)2 complex-catalyzed asymmetric [2,3]-rearrangement of in situ generated ammonium salts Chemical Science 11(11) (2020) 3068-3073
Space group: P 21 21 21
Cell volume: 1436.93
Cell parameters: 8.5161; 10.575; 15.9557; 90; 90; 90;  

COD ID: 1557360
CIF file Formula: - C8 H14 N2 O4 -
Comments: Blake, Timothy R.; Ho, Wilson C.; Turlington, Christopher R.; Zang, Xiaoyu; Huttner, Melanie A.; Wender, Paul A.; Waymouth, Robert M. Synthesis and mechanistic investigations of pH-responsive cationic poly(aminoester)s Chemical Science 11(11) (2020) 2951-2966
Space group: P 1 21/c 1
Cell volume: 455.57
Cell parameters: 5.6483; 9.0345; 9.1851; 90; 103.599; 90;  

COD ID: 1557371
CIF file Formula: - C27 H19 N O3 -
Comments: Sasaki, Yui; Kojima, Soya; Hamedpour, Vahid; Kubota, Riku; Takizawa, Shin-ya; Yoshikawa, Isao; Houjou, Hirohiko; Kubo, Yuji; Minami, Tsuyoshi Accurate chiral pattern recognition for amines from just a single chemosensor Chemical Science 11(15) (2020) 3790-3796
Space group: P 1
Cell volume: 983.56
Cell parameters: 7.1378; 9.8466; 14.7942; 88.9786; 79.0044; 74.6213;  

COD ID: 1557372
CIF file Formula: - C20 H12 S -
Comments: Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers Chemical Science 11(13) (2020) 3418-3426
Space group: P b c n
Cell volume: 1329.21
Cell parameters: 21.4461; 8.4399; 7.3436; 90; 90; 90;  

COD ID: 1557373
CIF file Formula: - C48 H36 N2 O4 S -
Comments: Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers Chemical Science 11(13) (2020) 3418-3426
Space group: P -1
Cell volume: 1826.25
Cell parameters: 9.2973; 11.5371; 17.8524; 99.629; 101.049; 97.562;  

COD ID: 1557374
CIF file Formula: - C97 H78 Cl2 N4 O8 S2 -
Comments: Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers Chemical Science 11(13) (2020) 3418-3426
Space group: P -1
Cell volume: 2051.7
Cell parameters: 10.5796; 13.7266; 14.368; 85.956; 83.941; 82.064;  

COD ID: 1557376
CIF file Formula: - C22 H14 Au2 Fe N6 -
Comments: Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang Light- and temperature-assisted spin state annealing: accessing the hidden multistability Chemical Science 11(12) (2020) 3281-3289
Space group: P 1 21/c 1
Cell volume: 2322.93
Cell parameters: 10.8116; 14.4381; 14.9803; 90; 96.596; 90;  

COD ID: 1557377
CIF file Formula: - C22 H14 Au2 Fe N6 -
Comments: Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang Light- and temperature-assisted spin state annealing: accessing the hidden multistability Chemical Science 11(12) (2020) 3281-3289
Space group: P 1 21/c 1
Cell volume: 2212.5
Cell parameters: 10.7397; 14.1109; 14.679; 90; 95.98; 90;  

COD ID: 1557378
CIF file Formula: - C22 H14 Au2 Fe N6 -
Comments: Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang Light- and temperature-assisted spin state annealing: accessing the hidden multistability Chemical Science 11(12) (2020) 3281-3289
Space group: P 1 21/c 1
Cell volume: 2185.28
Cell parameters: 10.7739; 13.9861; 14.5762; 90; 95.77; 90;  

COD ID: 1557379
CIF file Formula: - C22 H14 Au2 Fe N6 -
Comments: Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang Light- and temperature-assisted spin state annealing: accessing the hidden multistability Chemical Science 11(12) (2020) 3281-3289
Space group: P -1
Cell volume: 2235.9
Cell parameters: 10.7701; 14.1621; 14.7425; 90.082; 96.077; 90.471;  

COD ID: 1557380
CIF file Formula: - C60 H56 B2 F8 N2 O8 -
Comments: Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts Chemical Science 11(12) (2020) 3192-3197
Space group: P 1 n 1
Cell volume: 2719.7
Cell parameters: 12.5252; 16.8071; 12.9207; 90; 90.786; 90;  

COD ID: 1557381
CIF file Formula: - C23 H23 N O2 -
Comments: Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts Chemical Science 11(12) (2020) 3192-3197
Space group: P 1 21/c 1
Cell volume: 1807.1
Cell parameters: 9.3351; 20.6304; 9.7275; 90; 105.289; 90;  

COD ID: 1557382
CIF file Formula: - C33 H28 B F4 N O2 -
Comments: Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts Chemical Science 11(12) (2020) 3192-3197
Space group: P 1 21/n 1
Cell volume: 2750.3
Cell parameters: 11.0604; 16.678; 15.1704; 90; 100.639; 90;  

COD ID: 1557383
CIF file Formula: - C20 H21 N O4 -
Comments: Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts Chemical Science 11(12) (2020) 3192-3197
Space group: P 1 21/c 1
Cell volume: 3602.9
Cell parameters: 9.2314; 19.6394; 19.9121; 90; 93.605; 90;  

COD ID: 1557384
CIF file Formula: - C17 H18 F2 O2 S -
Comments: Huang, Xin; Zhang, Yage; Liang, Weijian; Zhang, Qifeng; Zhan, Yaling; Kong, Lichun; Peng, Bo Dearomatization of aryl sulfoxides: a switch between mono- and dual-difluoroalkylation Chemical Science 11(11) (2020) 3048-3053
Space group: P 1 21/c 1
Cell volume: 1559
Cell parameters: 8.497; 13.357; 13.775; 90; 85.689; 90;  

COD ID: 1557385
CIF file Formula: - C33 H29 Cl F4 O4 S2 -
Comments: Huang, Xin; Zhang, Yage; Liang, Weijian; Zhang, Qifeng; Zhan, Yaling; Kong, Lichun; Peng, Bo Dearomatization of aryl sulfoxides: a switch between mono- and dual-difluoroalkylation Chemical Science 11(11) (2020) 3048-3053
Space group: P -1
Cell volume: 1569.19
Cell parameters: 10.2309; 13.2445; 13.5012; 66.799; 70.33; 75.627;  

COD ID: 1557394
CIF file Formula: - C16 H14 O2 -
Comments: Liu, Lei; Lee, Wes; Yuan, Mingbin; Acha, Chris; Geherty, Michael B.; Williams, Brandon; Gutierrez, Osvaldo Intra- and intermolecular Fe-catalyzed dicarbofunctionalization of vinyl cyclopropanes Chemical Science 11(12) (2020) 3146-3151
Space group: P 1 21 1
Cell volume: 601.03
Cell parameters: 6.2309; 7.4169; 13.0054; 90; 90.1686; 90;  

COD ID: 1557395
CIF file Formula: - C102 H68 N18 O27 Zn8 -
Comments: Chen, Sheng-Chun; Zhang, Fei-Hang; Huang, Kun-Lin; Tian, Feng; Zhang, Zhi-Hui; Zhou, Renxian; Feng, Xue-Jun; Zhou, Xiaoying; He, Ming-Yang; Gu, Jiande; Chen, Qun; Wu, Chuan-De The crucial roles of guest water in a biocompatible coordination network in the catalytic ring-opening polymerization of cyclic esters: a new mechanistic perspective Chemical Science 11(12) (2020) 3345-3354
Space group: R -3 :H
Cell volume: 7086
Cell parameters: 22.979; 22.979; 15.496; 90; 90; 120;  


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