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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1551255	CIF	C96 H74 Cd4 N8 O28 P8 Si2	P -1	14.0172; 14.593; 25.8504 105.431; 95.932; 100.167	4953.8	Ai, Jing; Tian, Hong-Rui; Min, Xue; Wang, Zi-Chuan; Sun, Zhong-Ming A fast and highly selective Congo red adsorption material based on a cadmium-phosphonate network. Dalton transactions (Cambridge, England : 2003), 2020, 49, 3700-3705
1552151	CIF	C48 H45 B N2	P 1 21/c 1	7.5979; 32.4387; 16.8075 90; 115.761; 90	3730.78	Zhang, Jing; Li, Aisen; Zou, Hang; Peng, Junhui; Guo, Jiali; Wu, Wenjie; Zhang, Haoke; Zhang, Jun; Gu, Xinggui; Xu, Weiqing; Xu, Shuping; Liu, Sheng Hua; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong A “simple” donor‒acceptor AIEgen with multi-stimuli responsive behavior Materials Horizons, 2020, 7, 135-142
1552310	CIF	C33 H30 N O4 P Pd S2	P -1	10.11; 12.7449; 14.2331 85.456; 75.679; 87.617	1770.9	Tan, Chen; Qasim, Muhammad; Pang, Wenmin; Chen, Changle Ligand‒metal secondary interactions in phosphine‒sulfonate palladium and nickel catalyzed ethylene (co)polymerization Polymer Chemistry, 2020, 11, 411-416
1552372	CIF	C64 H52 Br2 P4 Ru S2	P -1	9.3882; 12.9082; 13.5032 117.037; 96.017; 103.315	1376.31	Ho, Po-Yuen; Komber, Hartmut; Horatz, Kilian; Tsuda, Takuya; Mannsfeld, Stefan C. B.; Dmitrieva, Evgenia; Blacque, Olivier; Kraft, Ulrike; Sirringhaus, Henning; Lissel, Franziska Synthesis and characterization of a semiconducting and solution-processable ruthenium-based polymetallayne Polymer Chemistry, 2020, 11, 472-479
1552456	CIF	C31 H23 F3 N2 O5	P 21 21 21	8.97942; 10.9358; 27.051 90; 90; 90	2656.33	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, 2020, 11, 241-247
1552457	CIF	C28 H26 F3 N3 O2	P 1 21/c 1	19.7387; 13.4237; 9.3356 90; 93.107; 90	2469.98	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, 2020, 11, 241-247
1552458	CIF	C28 H26 F3 N3 O2	P 1 21 1	13.5575; 23.9425; 19.8418 90; 93.584; 90	6428.06	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, 2020, 11, 241-247
1552477	CIF	C51 H58 O14	P -1	9.6444; 12.2441; 19.4216 93.6475; 99.9526; 92.348	2251.2	Xu, Xiaowen; Jerca, Florica Adriana; Van Hecke, Kristof; Jerca, Valentin Victor; Hoogenboom, Richard High compression strength single network hydrogels with pillar[5]arene junction points Materials Horizons, 2020, 7, 566-573
1552504	CIF	C20 H22 B N	F d d 2	39.763; 37.788; 8.9491 90; 90; 90	13446.6	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1552505	CIF	C17 H17 B Cr O3 S	P 1 21/c 1	11.605; 9.0305; 15.7985 90; 102.127; 90	1618.72	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1552506	CIF	C28 H27 B O	P -1	8.7781; 10.9283; 12.3004 70.809; 87.538; 79.597	1095.91	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1552507	CIF	C27 H27 B O	C 1 c 1	13.441; 13.1854; 24.0772 90; 94.762; 90	4252.4	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1552508	CIF	C28 H29 B O	P 1 21/n 1	14.454; 7.2349; 21.474 90; 100.708; 90	2206.5	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1552533	CIF	C88 H76 F24 N14 P4 Ru2	P -1	13.885; 17.841; 22.499 83.99; 73.932; 85.868	5320.9	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, 2020, 11, 70-79
1552713	CIF	C44 H42 F18 N6 P3 S2	P b a m	14.8195; 20.8662; 9.5394 90; 90; 90	2949.8	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, 2020, 11, 107-112
1552714	CIF	C78 H73 F30 N11 P5	C m c 21	19.886; 20.698; 20.515 90; 90; 90	8444	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, 2020, 11, 107-112
1552715	CIF	C48 H46 F18 N6 P3	P b a m	14.1423; 21.9108; 9.5937 90; 90; 90	2972.79	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, 2020, 11, 107-112
1552716	CIF	C36 H32 F24 N4 P4	P 1 21/c 1	7.4563; 20.125; 13.948 90; 91.831; 90	2091.9	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, 2020, 11, 107-112
1552717	CIF	C32 H28 F12 N4 P2 S2	P b a m	10.3821; 21.5348; 9.6558 90; 90; 90	2158.81	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, 2020, 11, 107-112
1552718	CIF	C35 H31 F24 N5 P4	P -1	11.2904; 16.9439; 24.966 75.157; 86.061; 86.58	4601.4	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, 2020, 11, 107-112
1552719	CIF	C34 H30 F12 N4 P2 S	P b a m	10.266; 21.7433; 9.8244 90; 90; 90	2193	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, 2020, 11, 107-112
1552720	CIF	C44 H42 F18 N6 P3 S	P b a m	14.8597; 21.003; 9.5902 90; 90; 90	2993.1	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, 2020, 11, 107-112
1552721	CIF	C18 H16.5 F12 N2.5 P2 S0.5	P -1	13.603; 13.8062; 16.0216 101.314; 111.832; 107.987	2486.3	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, 2020, 11, 107-112
1552722	CIF	C47 H45 F18 N7 P3	P b a m	14.1183; 21.8905; 9.5412 90; 90; 90	2948.8	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, 2020, 11, 107-112
1552748	CIF	C20 H28 Br2 Cu2 N2 O14 S2	P 1 21/c 1	12.248; 7.6422; 15.829 90; 104.923; 90	1431.6	Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis. Metallomics : integrated biometal science, 2020, 12, 92-103
1552749	CIF	C24 H26 Br Co N3 O7 S	I 1 2/a 1	15.5234; 19.2687; 19.1761 90; 112.933; 90	5282.5	Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis. Metallomics : integrated biometal science, 2020, 12, 92-103
1552750	CIF	C23 H22 Br Cu N3 O6 S	P 1 21/c 1	15.516; 13.3471; 11.7999 90; 100.625; 90	2401.8	Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis. Metallomics : integrated biometal science, 2020, 12, 92-103
1552754	CIF	Al B3 Cs F O6	P n a 21	8.064; 11.97; 7.036 90; 90; 90	679.2	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, 2020, 11, 694-698
1552766	CIF	C28 H22 N3 P	R 3 :H	34.841; 34.841; 5.566 90; 90; 120	5851.3	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, 2020, 11, 97-106
1552767	CIF	C19 H17 N3 O P	P 21 21 21	9.0625; 10.9721; 18.2236 90; 90; 90	1812.1	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, 2020, 11, 97-106
1552768	CIF	C19 H23 O3 P	P 1 21 1	8.3114; 10.1411; 10.8128 90; 107.963; 90	866.95	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, 2020, 11, 97-106
1552769	CIF	C24 H32 N O2 P S	P 1 21 1	6.0745; 19.8094; 9.9683 90; 98.06; 90	1187.66	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, 2020, 11, 97-106
1552770	CIF	C16 H18 Au Cl3 P	P -1	8.6866; 10.7017; 11.1556 72.428; 86.595; 70.591	931.5	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, 2020, 11, 97-106
1552771	CIF	C36 H33 Cl N3 O3 P	P 1 21 1	14.421; 7.7894; 16.028 90; 114.539; 90	1637.8	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, 2020, 11, 97-106
1552772	CIF	C15 H13 O P	P 21 21 21	7.6851; 12.5057; 13.9472 90; 90; 90	1340.43	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, 2020, 11, 97-106
1552854	CIF	C18 H7 F9	P -1	7.427; 7.782; 13.74 89.382; 89.146; 68.679	739.7	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, 2020, 11, 276-280
1552855	CIF	C24 H32 N2 O3 S Si	I 1 2/a 1	14.4384; 16.0496; 20.713 90; 96.573; 90	4768.29	Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science, 2020, 11, 389-395
1552856	CIF	C38 H36 N4 O12 Rh2 S2	I 1 2/a 1	17.4067; 10.6112; 22.164 90; 98.333; 90	4050.6	Rej, Supriya; Chatani, Naoto Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes. Chemical science, 2020, 11, 389-395
1552858	CIF	C66 H54 Cl6 N4 O10	P 1 21/c 1	10.8204; 35.106; 8.2849 90; 110.005; 90	2957.2	Dai, Heshuang; Shichibu, Yukatsu; Imai, Yoshitane; Hara, Nobuyuki; Konishi, Katsuaki; Wang, Yue; Song, Zhiyi; Nakano, Tamaki Synthesis and stereochemistry of helical polyurethanes based on 2,2′-dihydroxy-1,1′-binaphthyl and diisocyanatobenzenes Polymer Chemistry, 2020, 11, 1134-1144
1552876	CIF	C39 H45 Au N4 O4 S	P -1	10.7063; 13.5187; 13.5554 71.713; 76.289; 70.466	1736.4	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, 2020, 11, 435-446
1552877	CIF	C41 H52 Au Cl2 N3	P b c a	10.4512; 18.0543; 38.7653 90; 90; 90	7314.59	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, 2020, 11, 435-446
1552878	CIF	C39 H47 Au N2 S	P 1 21/c 1	12.6173; 13.9286; 19.607 90; 108.245; 90	3272.5	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, 2020, 11, 435-446
1552879	CIF	C45 H51 Au N2	P 1 21/c 1	12.6669; 17.4884; 17.3107 90; 108.451; 90	3637.6	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, 2020, 11, 435-446
1552880	CIF	C40 H49 Au Cl2 N2 O	P b c a	10.0502; 17.6546; 39.3833 90; 90; 90	6987.9	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, 2020, 11, 435-446
1552881	CIF	C79 H96 Au2 Cl2 N4 O4 S2	P 1 21/c 1	21.965; 16.1816; 20.6249 90; 99.929; 90	7220.9	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, 2020, 11, 435-446
1552882	CIF	C42 H53 Au N2	P b c n	34.2921; 13.9716; 17.0268 90; 90; 90	8157.8	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, 2020, 11, 435-446
1552883	CIF	C28 H24 O2	P -1	9.5034; 10.6505; 21.889 96.945; 102.069; 99.44	2109.4	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, 2020, 11, 494-498
1552884	CIF	C23 H20 O	I 1 2 1	17.3724; 5.5677; 18.8919 90; 111.661; 90	1698.27	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, 2020, 11, 494-498
1552885	CIF	C18 H17 N O2	P 21 21 21	9.0262; 10.7097; 14.6781 90; 90; 90	1418.9	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, 2020, 11, 494-498
1552886	CIF	C23 H19 N O2	P 21 21 21	5.5431; 17.2727; 17.7127 90; 90; 90	1695.89	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, 2020, 11, 494-498
1552917	CIF	C34 H31 Au Cl4 F3 N4 O3 S3	P 21 21 2	18.2211; 18.9776; 11.15 90; 90; 90	3855.6	Yu, Bingqiong; Liu, Yanhong; Peng, Xian; Hua, Siyu; Zhou, Gangcheng; Yan, Kun; Liu, Yi Synthesis, characterization, and antitumor properties of Au(i)-thiourea complexes. Metallomics : integrated biometal science, 2020, 12, 104-113
1552926	CIF	C94 H82 N4 O2 S4	P -1	14.9009; 15.5043; 18.1199 99.309; 101.541; 108.366	3777.2	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552927	CIF	C23 H20 N2 O S	P -1	7.7145; 10.865; 12.5062 110.002; 96.063; 104.29	933.52	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552928	CIF	C66 H66 N4 O2 S2	P -1	8.6679; 12.5073; 13.5784 72.096; 75.545; 88.839	1353.88	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552929	CIF	C104 H109 N4 O8 S4	P 1 21/c 1	15.2836; 20.0101; 29.3242 90; 89.997; 90	8968.1	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552930	CIF	C100 H98 Cl6 N4 O6 S4	P -1	8.6526; 16.4878; 18.0435 114.697; 103.822; 90.89	2251.5	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552931	CIF	C58 H60 Cl3 N2 O2 S2	C 1 2/c 1	21.1745; 35.242; 14.1841 90; 100.409; 90	10410.4	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552932	CIF	C20 H18 S2	P -1	8.429; 9.714; 11.076 82.096; 69.206; 76.828	823.92	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552933	CIF	C27 H22 N2 O S	P 1 21/n 1	4.8299; 24.008; 17.9904 90; 91.295; 90	2085.57	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552934	CIF	C95 H83 Cl3 N4 O2 S4	P -1	8.7454; 18.872; 25.2647 87.77; 88.724; 78.001	4075.1	Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham Meta-analysis: the molecular organization of non-fullerene acceptors Materials Horizons, 2020, 7, 1062-1072
1552936	CIF	C44 H58 N8 O13	C 1 2 1	21.2554; 5.93942; 17.7277 90; 90.6651; 90	2237.88	Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud Accelerated charge transfer in water-layered peptide assemblies. Energy & environmental science, 2020, 13, 96-101
1552937	CIF	C44 H57 N8 O13	C 1 2 1	21.2; 5.9359; 17.737 90; 90.692; 90	2231.9	Tao, Kai; Donnell, Joseph O'; Yuan, Hui; Haq, Ehtsham U.; Guerin, Sarah; Shimon, Linda J. W.; Xue, Bin; Silien, Christophe; Cao, Yi; Thompson, Damien; Yang, Rusen; Tofail, Syed A. M.; Gazit, Ehud Accelerated charge transfer in water-layered peptide assemblies. Energy & environmental science, 2020, 13, 96-101
1552946	CIF	C23 H31 N O7 Si	P 1 21 1	10.936; 9.071; 12.562 90; 94.63; 90	1242.1	Yu, Haiyong; Zong, Yan; Xu, Tao Total synthesis of (−)-penicimutanin a and related congeners Chemical Science, 2020, 11, 656-660
1552947	CIF	C45 H47 N4 O9	P 1 21 1	8.7818; 21.1435; 10.5555 90; 92.327; 90	1958.3	Yu, Haiyong; Zong, Yan; Xu, Tao Total synthesis of (−)-penicimutanin a and related congeners Chemical Science, 2020, 11, 656-660
1552948	CIF	C26 H12 Br2 N2 O6	P 21 21 21	7.355; 12.9923; 24.5807 90; 90; 90	2348.9	Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes. Chemical science, 2020, 11, 403-408
1552949	CIF	C16.05 H12.45 N O5	I 1 2 1	15.0405; 8.4792; 13.8431 90; 106.602; 90	1691.83	Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes. Chemical science, 2020, 11, 403-408
1552950	CIF	C66 H50 N2 O4	P 1 21 1	15.2114; 15.0318; 22.042 90; 93.831; 90	5028.7	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, 2020, 11, 567-576
1552951	CIF	C78 H19 N O S2	P 1 21/c 1	14.2115; 13.2334; 26.4184 90; 116.384; 90	4450.9	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, 2020, 11, 384-388
1552952	CIF	C18 H23 Cl2 N3 O5	P 1 21/c 1	11.6895; 23.58; 7.2918 90; 94.989; 90	2002.3	Rajak, Aritra; Karan, Chandan Kumar; Theato, Patrick; Das, Anindita Supramolecularly cross-linked amphiphilic block copolymer assembly by the dipolar interaction of a merocyanine dye Polymer Chemistry, 2020, 11, 695-703
1556080	CIF	C35 H38 Cl2 F6 Fe N4 O6 S2	P 1 21 1	11.2529; 12.5689; 14.178 90; 101.369; 90	1965.94	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, 2020, 11, 684-693
1556081	CIF	C38 H44 Cl4 F6 Fe N4 O6 S2	P 21 21 21	11.265; 16.5488; 23.0009 90; 90; 90	4287.9	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, 2020, 11, 684-693
1556082	CIF	C24 H26 N3 O	C 1 2 1	21.5973; 5.0981; 17.5377 90; 91.771; 90	1930.07	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, 2020, 11, 684-693
1556083	CIF	C18 H21 N3 O	P 1 21 1	8.63; 15.205; 12.2 90; 105.42; 90	1543.2	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, 2020, 11, 684-693
1556084	CIF	C22 H17 N O6 S	P 21 21 21	5.761; 15.9645; 20.7087 90; 90; 90	1904.61	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, 2020, 11, 833-838
1556085	CIF	C22 H17 N O4 S	P n m a	6.6807; 19.9408; 14.2683 90; 90; 90	1900.8	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, 2020, 11, 833-838
1556261	CIF	C13 H7 F6 N S	P 1 21 1	9.5947; 4.8799; 13.6316 90; 94.414; 90	636.35	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, 2020, 11, 737-741
1556262	CIF	C24 H14 F4 N2 S	P 1 21/c 1	8.6198; 7.7249; 29.3919 90; 91.201; 90	1956.69	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, 2020, 11, 737-741
1556263	CIF	C20 H12 N2 O2 S2	P 1 21/c 1	11.2568; 5.8241; 12.8702 90; 112.433; 90	779.93	Li, Tao; Yan, Xiaodong; Liu, Yong; Zhang, Wen-Da; Fu, Qiu-Ting; Zhu, Haiyan; Li, Zaijun; Gu, Zhi-Guo A 2D covalent organic framework involving strong intramolecular hydrogen bonds for advanced supercapacitors Polymer Chemistry, 2020, 11, 47-52
1556265	CIF	C76 H94 Cl6 F6 N6 O10 Pt2 S2	P -1	13.4362; 18.3994; 20.2998 106.666; 108.577; 103.771	4246.8	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, 2020, 11, 499-507
1556406	CIF	C54 H54 N18 O12	P 1 21/c 1	16.615; 27.205; 13.426 90; 112.678; 90	5600	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, 2020, 11, 37-43
1556409	CIF	C37 H47 B N3 O P	P 1 21/n 1	10.6925; 19.6374; 17.0321 90; 101.118; 90	3509.16	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, 2020, 11, 862-869
1556410	CIF	C46 H58 B N4 P	P -1	10.6744; 13.4621; 14.8146 82.534; 88.654; 84.679	2101.57	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, 2020, 11, 862-869
1556411	CIF	C31 H45 B N3 P	P 1 21/n 1	17.2385; 10.9928; 33.0859 90; 96.506; 90	6229.38	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, 2020, 11, 862-869
1556412	CIF	C52 H72 B2 N4 P2	P 1 21/n 1	13.0269; 14.1779; 14.8915 90; 112.746; 90	2536.47	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, 2020, 11, 862-869
1556413	CIF	C36 H47 B N3 P	P 1 21/c 1	18.9679; 7.4054; 25.1568 90; 107.29; 90	3373.97	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, 2020, 11, 862-869
1556414	CIF	C74 H113 B2 N6 O2 P2	P -1	14.0563; 14.7947; 20.1864 73.781; 76.257; 67.558	3684.82	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, 2020, 11, 862-869
1556415	CIF	C27 H36 B N2 O P	P 1 21/n 1	9.3904; 14.2038; 20.3914 90; 99.177; 90	2684.98	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, 2020, 11, 862-869
1556534	CIF	C34.5 H29 Cl F6 N P	P 1 21/n 1	11.2525; 9.2194; 59.1397 90; 93.8053; 90	6121.7	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, 2020, 11, 997-1005
1556535	CIF	C34 H28 F6 N P	P 1 21/c 1	24.8939; 9.1783; 12.5794 90; 98.168; 90	2845.03	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, 2020, 11, 997-1005
1556536	CIF	C15 H13 N2 O5 Re	P 21 21 21	6.345; 14.5492; 16.7909 90; 90; 90	1550.05	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, 2020, 11, 1216-1225
1556537	CIF	C13 H9 N2 O5 Re	P 1 21/c 1	9.1929; 13.3161; 11.3352 90; 106.8; 90	1328.36	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, 2020, 11, 1216-1225
1556538	CIF	C15 H12 N O4 Re S	P 1 21/n 1	8.5304; 8.156; 22.7941 90; 96.365; 90	1576.1	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, 2020, 11, 1216-1225
1556539	CIF	C20.5 H15 Cl N O5 Re	P 1 21/c 1	20.753; 7.0352; 13.7941 90; 105.388; 90	1941.8	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, 2020, 11, 1216-1225
1556540	CIF	C13 H11 N2 O6 Re	P -1	9.108; 9.5099; 9.7673 70.669; 80.012; 61.781	703.28	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, 2020, 11, 1216-1225
1556541	CIF	C173 H189 Ag28 Mo4 O21 P12	C 1 2/c 1	57.47; 33.556; 39.361 90; 122.967; 90	63684	Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>. Nanoscale, 2020, 12, 1617-1622
1556542	CIF	C337 H339 Ag32 Mo4 N3 O26 P24	C 1 2 1	41.161; 24.6172; 40.061 90; 103.141; 90	39530	Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>. Nanoscale, 2020, 12, 1617-1622
1556543	CIF	C168 H170 Ag28 O17 P12 W4	C 1 2/c 1	57.246; 33.4588; 38.553 90; 120.882; 90	63375	Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>. Nanoscale, 2020, 12, 1617-1622
1556544	CIF	C3 H5 N	P n m a	7.56183; 6.59134; 7.23629 90; 90; 90	360.675	Brand, Helen E. A.; Gu, Qinfen; Kimpton, Justin A.; Auchettl, Rebecca; Ennis, Courtney Crystal structure of propionitrile (CH~3~CH~2~CN) determined using synchrotron powder X-ray diffraction Journal of Synchrotron Radiation, 2020, 27, 212-216
1556576	CIF	C280 H378 O238 Yb42	P -1	16.5526; 32.2692; 32.7633 103.703; 102.725; 100.939	16034.9	Shi, Dongliang; Yang, Xiaoping; Xiao, Zhiyin; Liu, Xiaoming; Chen, Hongfen; Ma, Yanan; Schipper, Desmond; Jones, Richard A. A 42-metal Yb(iii) nanowheel with NIR luminescent response to anions. Nanoscale, 2020, 12, 1384-1388
1556577	CIF	C2 H5 N O2	P 1 21/n 1	5.223; 12.435; 5.563 90; 111.14; 90	336.99	Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9
1556578	CIF	C2 H5 N O2	P 1 21 1	5.311; 6.454; 5.694 90; 112.86; 90	179.84	Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9
1556579	CIF	C2 H5 N O2	P 31	7.395; 7.395; 5.75 90; 90; 120	272.32	Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon Polymorph evolution during crystal growth studied by 3D electron diffraction IUCrJ, 2020, 7, 5-9
1556599	CIF	C87.5 H82 Ag2 Fe O7.5 P4	P 1 21 1	13.2313; 30.795; 18.556 90; 94.183; 90	7540.6	Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight Catalysis Science & Technology, 2020, 10, 757-767
1556600	CIF	C122.5 H108.5 Cu2 Fe O7 P6	P b c a	24.582; 20.281; 40.461 90; 90; 90	20172	Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight Catalysis Science & Technology, 2020, 10, 757-767
1556629	CIF	C15 H13 F	P 1 21/n 1	13.5004; 5.6062; 15.1666 90; 104.738; 90	1110.13	Fu, Wai Chung; Kwong, Fuk Yee A denitrogenative palladium-catalyzed cascade for regioselective synthesis of fluorenes Chemical Science, 2020, 11, 1411-1417
1556630	CIF	C40 H50 Br N5 O5	P 1 21/c 1	11.9227; 17.3502; 17.7857 90; 90.611; 90	3678.96	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, 2020, 11, 1418-1424
1556631	CIF	C29 H27 Cl N2 O	P 1 21/c 1	10.8554; 18.2505; 12.2873 90; 105.01; 90	2351.26	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, 2020, 11, 1418-1424
1556632	CIF	C46 H42 Br N3 O	P 1 21/n 1	10.2078; 19.152; 18.9514 90; 94.804; 90	3691.98	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, 2020, 11, 1418-1424
1556633	CIF	C28 H29 N3 O	P 1 21/c 1	9.0448; 14.0503; 18.8685 90; 102.053; 90	2344.99	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, 2020, 11, 1418-1424
1556634	CIF	C31 H31 Br N2 O	P 1 21/n 1	14.485; 10.8239; 16.4134 90; 90.869; 90	2573.07	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, 2020, 11, 1418-1424
1556635	CIF	C39 H39 N5 O5	P 1 21/c 1	11.80408; 18.74504; 31.2581 90; 79.1361; 90	6792.46	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, 2020, 11, 1418-1424
1556636	CIF	C45 H39 Cl2 N3 O	P 1 21/n 1	13.58053; 20.7753; 29.2921 90; 102.897; 90	8055.96	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, 2020, 11, 1418-1424
1556642	CIF	C50 H67 B2 P3	P -1	10.6022; 10.6218; 20.1023 94.418; 99.288; 100.371	2184.47	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556643	CIF	C34 H48 B2 Br P3	P b c a	10.5062; 17.5469; 36.649 90; 90; 90	6756.3	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556644	CIF	C34 H48 B2 Br P3	P 1 21/n 1	11.8091; 16.5734; 17.4767 90; 107.828; 90	3256.2	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556645	CIF	C40 H55 B2 Br N2 P2	F d d 2	28.3736; 57.198; 10.0055 90; 90; 90	16238.1	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556646	CIF	C58 H71 B2 N4 P	P -1	11.3635; 13.09; 19.2394 89.968; 76.353; 70.181	2606.41	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556647	CIF	C26 H18 B F10 N	P 1 21/c 1	16.8585; 9.6751; 15.4623 90; 111.832; 90	2341.14	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556648	CIF	C44 H30 B F10 P	P -1	8.3209; 11.319; 19.7803 99.399; 98.04; 104.051	1751.34	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556649	CIF	C27 H20 B F10 N	P 21 21 21	9.724; 14.9525; 16.4897 90; 90; 90	2397.57	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556650	CIF	C46 H38 B Cl2 F10 P	P 1 21/c 1	11.605; 20.1373; 17.8823 90; 102.818; 90	4074.83	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556651	CIF	C46 H38 B Cl2 F10 P	P -1	11.1982; 11.5411; 16.5533 96.789; 96.943; 106.576	2009	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556652	CIF	C39 H28 B F10 P	P 1 21/c 1	12.2953; 14.3056; 20.8746 90; 100.3; 90	3612.5	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556653	CIF	C27 H21 B F10	P 1 21/c 1	6.4255; 17.461; 21.2763 90; 95.037; 90	2377.9	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556654	CIF	C40 H30 B F10 P	P -1	12.4783; 15.7635; 20.7617 102.312; 93.184; 112.263	3650.3	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556655	CIF	C43 H24 B2 F20 N2	P -1	9.0564; 10.3497; 21.915 91.873; 96.63; 96.996	2022.9	Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard Borane-induced ring closure reaction of oligomethylene-linked bis-allenes Chemical Science, 2020, 11, 1542-1548
1556673	CIF	C36 H23 Cu2 F14 N8 O8 P S4	P 1 21/c 1	19.7106; 9.9489; 22.7748 90; 99.808; 90	4400.83	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, 2020, 11, 1607-1616
1556674	CIF	C42 H34 Cu2 F14 N8 O9 S4	P -1	12.5211; 14.8116; 15.6245 76.518; 67.701; 76.651	2574.23	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, 2020, 11, 1607-1616
1556675	CIF	C43 H39 Cu2 F14 N8 O9 P S4	P -1	12.4499; 12.637; 18.5946 89.354; 84.84; 72.243	2774.4	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, 2020, 11, 1607-1616
1556676	CIF	C45 H35 Cu2 F14 N9 O8 S4	P 21 21 21	10.918; 20.4455; 23.1939 90; 90; 90	5177.4	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, 2020, 11, 1607-1616
1556677	CIF	C45 H35 Cu2 F14 N8 O8 P S4	P 1 21/n 1	18.6915; 16.5896; 18.8035 90; 96.346; 90	5794.9	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, 2020, 11, 1607-1616
1556703	CIF	C65.25 N4 O8 S2	P -1	22.2613; 26.916; 28.2117 83.387; 73.393; 69.33	15154.3	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, 2020, 11, 1503-1509
1556704	CIF	C37 N4 O8 S3	P 1 21 1	22.0328; 21.2168; 33.589 90; 102.198; 90	15347.2	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, 2020, 11, 1503-1509
1556719	CIF	C21 H19 N O S	P -1	7.2702; 8.7819; 13.6782 98.564; 100.026; 104.633	814.84	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, 2020, 11, 1353-1360
1556720	CIF	C18 H13 N O	P 1 21/c 1	11.42288; 8.41061; 28.0872 90; 100.454; 90	2653.64	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, 2020, 11, 1353-1360
1556721	CIF	C24 H19 N O S	P 21 21 21	5.81156; 17.547; 18.1227 90; 90; 90	1848.07	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, 2020, 11, 1353-1360
1556722	CIF	C19 H15 N O	P 21 21 21	7.4225; 9.90594; 19.5109 90; 90; 90	1434.57	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, 2020, 11, 1353-1360
1556723	CIF	C25 H21 N O S	P -1	8.7543; 9.971; 11.6327 81.846; 74.281; 81.076	960.27	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, 2020, 11, 1353-1360
1556724	CIF	C24 Au4 Pt2 S8	P 4/n :2	12.704; 12.704; 12.678 90; 90; 90	2046.1	Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters Materials Horizons, 2020, 7, 796-803
1556725	CIF	C98.5 H128 Au4 Pt2 S8	C 1 2/c 1	44.07; 14.7091; 31.214 90; 98.553; 90	20009	Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters Materials Horizons, 2020, 7, 796-803
1556726	CIF	C67.5 H76 Au4 Pt2 S8	P 1 21/n 1	18.0367; 30.034; 24.6 90; 94.589; 90	13283	Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters Materials Horizons, 2020, 7, 796-803
1556727	CIF	C56 Au4 Cl8 Pt2 S8	I 41/a c d :2	30.11; 30.11; 15.878 90; 90; 90	14395	Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters Materials Horizons, 2020, 7, 796-803
1556728	CIF	C80 H104 Au4 Pt2 S8	P -1	12.5672; 13.4332; 14.366 110.038; 107.982; 103.327	2007.8	Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters Materials Horizons, 2020, 7, 796-803
1556729	CIF	Ba0.45 Ce1.04 K0.55 Na5.62 O76.74 Si18.76 Ti6	C 1 2/c 1	35.908; 27.784; 33.126 90; 96.494; 90	32837	Zolotarev, Jr, Andrey A.; Krivovichev, Sergey V.; Cámara, Fernando; Bindi, Luca; Zhitova, Elena S.; Hawthorne, Frank; Sokolova, Elena Extraordinary structural complexity of ilmajokite: a multilevel hierarchical framework structure of natural origin IUCrJ, 2020, 7, 121-128
1556730	CIF	C20 H24 O2	P 21 21 21	9.959; 11.731; 12.842 90; 90; 90	1500.3	Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity IUCrJ, 2020, 7, 105-112
1556731	CIF	C21 H28 N2 O2 S	P 1 21 1	10.3797; 8.3706; 10.7275 90; 105.568; 90	897.9	Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity IUCrJ, 2020, 7, 105-112
1556844	CIF	C45 H57 B N2 O2	P -1	9.6381; 11.485; 19.0369 85.238; 75.946; 75.838	1981.44	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, 2020, 11, 1848-1854
1556845	CIF	C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4	P -1	21.515; 24.1156; 35.321 81.037; 78.006; 68.595	16625	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, 2020, 11, 1691-1697
1556846	CIF	C11 H13 F9 O2	P 21 21 21	5.6044; 9.5819; 26.472 90; 90; 90	1421.57	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, 2020, 11, 1629-1635
1556847	CIF	C7 H10 F6 O3	P 1 21 1	4.9029; 9.8824; 10.7838 90; 100.543; 90	513.68	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, 2020, 11, 1629-1635
1556849	CIF	C16 H6 F6 N2 O2	P b c n	11.7327; 9.6358; 13.0361 90; 90; 90	1473.8	Liu, Jingfeng; Meng, Qingjie; Li, Liying; Lu, Gewu; Yuan, Hang; Cui, Lei; Liu, Xia; Mu, Hongliang; Ji, Jingjing; Zhou, Defeng; Wang, Zhen; Yan, Jingling A high-performance polycyanurate network derived from 4,4′-biscyanato-2,2′-trifluoromethylbiphenyl Polymer Chemistry, 2020, 11, 784-788
1556851	CIF	C29 H31 N O S2	P 1 21/c 1	5.512; 27.2877; 16.0208 90; 90; 90	2409.7	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556852	CIF	C21 H24 N2 O S3	P -1	11.4995; 13.626; 14.631 79.476; 69.652; 70.613	2021.8	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556853	CIF	C174 H186 Ag6 Cl6 N6 O30 S12	P a -3	25.8366; 25.8366; 25.8366 90; 90; 90	17246.7	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556854	CIF	C22 H26 Ag Cl2 F6 N2 O P S3	C 1 2 1	27.888; 14.9539; 7.2021 90; 95.118; 90	2991.5	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556855	CIF	C24 H30 Cl2 Hg N2 O10 S3	P 1 21/c 1	12.902; 21.339; 11.771 90; 116.33; 90	2904.5	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556856	CIF	C21 H24 Hg I2 N2 O S3	C m c 21	10.0374; 31.171; 8.3311 90; 90; 90	2606.6	Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Park, Sunhong; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Mechanistic insights into heavy metal ion sensing by NOS<sub>2</sub>-macrocyclic fluorosensors via the structure-function relationship: influences of fluorophores, solvents and anions. The Analyst, 2020, 145, 1667-1676
1556860	CIF	C45 H44 Cl F5 N4 Ni	P 1 21/c 1	19.2423; 10.9261; 21.5899 90; 106.046; 90	4362.3	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, 2020, 11, 1260-1268
1556861	CIF	C45 H50 F5 N3 Ni	P 1 21/c 1	12.0799; 14.6404; 24.1769 90; 91.408; 90	4274.5	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, 2020, 11, 1260-1268
1556862	CIF	C44 H45 F5 N3 Ni	P -1	9.5949; 11.8426; 18.3253 92.953; 104.293; 100.626	1972.9	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, 2020, 11, 1260-1268
1556863	CIF	C45 H49 F5 N3 Ni	P n a 21	14.1294; 16.6197; 15.8282 90; 90; 90	3716.9	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, 2020, 11, 1260-1268
1556864	CIF	C40 H39 F5 N3 Ni	P 1 21/c 1	17.7017; 15.1269; 13.141 90; 109.571; 90	3315.5	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, 2020, 11, 1260-1268
1556865	CIF	C12 H8 I2 N2 O7	P n a 21	8.2007; 7.7793; 24.6164 90; 90; 90	1570.42	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, 2020, 11, 947-953
1556866	CIF	C36 H50 B2	P -1	9.035; 12.0924; 14.7514 92.899; 103.022; 103.134	1520.32	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1556867	CIF	C32 H35 B O	P 1 21/c 1	10.6036; 17.5824; 17.446 90; 125.621; 90	2643.98	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1556868	CIF	C34 H31 B O	P b c a	10.0358; 12.1076; 43.226 90; 90; 90	5252.4	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1556869	CIF	C61 H60 Cl2 N4 O2 Ru	P 1 21/c 1	11.5545; 17.3432; 25.028 90; 95.757; 90	4990.1	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, 2020, 11, 2243-2259
1556870	CIF	C64 H52 F4 N4 Os	P -1	11.0536; 11.1353; 11.8926 97.46; 108.927; 107.647	1276.53	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, 2020, 11, 2243-2259
1556871	CIF	C59 H27 F20 Fe N5	P 1	10.5317; 14.347; 17.434 76.71; 80.147; 84.826	2522.3	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, 2020, 11, 2243-2259
1556872	CIF	C59 H50 Cl3 D Fe N4	P -1	11.3588; 13.5043; 16.5422 85.786; 84.24; 70.986	2384.6	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, 2020, 11, 2243-2259
1556873	CIF	C65.5 H39.5 F20 N8 Ru	C 1 2/c 1	24.815; 20.891; 24.043 90; 100.174; 90	12268	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, 2020, 11, 2243-2259
1556874	CIF	C48 H54 Cu F12 N6 O2 P2	P 1 21/n 1	21.313; 9.951; 24.687 90; 107.778; 90	4986	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, 2020, 11, 1170-1175
1556875	CIF	C311.2 H387.9 B90.2 F18 Fe4 N55.5 O36 S6	C 1 c 1	33.357; 32.3478; 45.8124 90; 102.32; 90	48294.4	Lu, Zhenpin; Ronson, Tanya K.; Nitschke, Jonathan R. Reversible reduction drives anion ejection and C60 binding within an FeII4L6 cage Chemical Science, 2020, 11, 1097-1101
1556876	CIF	C26 H42 N2 S8 Sn2	P -1	7.7711; 10.3961; 12.6341 113.062; 96.284; 98.114	914.39	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, 2020, 11, 1066-1078
1556877	CIF	C120 H88 B2 F48 Fe2 O2 S8 Sn2	P 1 21/c 1	12.734; 31.568; 18.543 90; 107.358; 90	7115	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, 2020, 11, 1066-1078
1556878	CIF	C57 H53.5 B F24 N0.5 O0.5 S8 Sn2	P 1 21/c 1	9.5804; 23.505; 30.294 90; 97.92; 90	6756.8	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, 2020, 11, 1066-1078
1556879	CIF	C122 H72 B2 F48 Ni2 P4 S8	C 1 2/c 1	40.752; 18.985; 17.7197 90; 107.903; 90	13045.5	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, 2020, 11, 1066-1078
1556880	CIF	C90 H60 B F24 Ni2 P4 S8	P -1	14.1624; 18.3974; 20.189 94.073; 103.397; 106.515	4852.9	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, 2020, 11, 1066-1078
1556881	CIF	C102 H92 B2 F48 O4 S8 Sn2	P -1	12.9111; 15.863; 16.368 88.537; 88.979; 69.195	3132.6	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, 2020, 11, 1066-1078
1556882	CIF	C106 H68 B F24 Fe2 P4 Pd2 S8	P -1	13.503; 19.054; 28.239 105.082; 91.975; 90.73	7009	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, 2020, 11, 1066-1078
1556883	CIF	C540 H360 B6 F144 P24 Pd12 S48	P -1	29.421; 31.324; 35.123 92.011; 91.984; 99.304	31897	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, 2020, 11, 1066-1078
1556884	CIF	C40 H36 F6 N3 O3 P	P 1 21 1	8.20579; 29.4208; 16.5731 90; 93.223; 90	3994.76	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, 2020, 11, 1165-1169
1556885	CIF	C61 H46 F6 N5 O2 P	C 1 2/c 1	27.6234; 16.7146; 21.7661 90; 106.545; 90	9633.6	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, 2020, 11, 1165-1169
1556886	CIF	C95 H78 Cl6 F12 N6 O2 P2	P 1 21/c 1	11.678; 12.9347; 27.785 90; 90.912; 90	4196.4	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, 2020, 11, 1165-1169
1556888	CIF	C18 H14 F4 N2 O4 S	P 1 21/c 1	14.8945; 12.1188; 10.2846 90; 105.825; 90	1786.05	Korlyukov, Alexander A.; Malinska, Maura; Vologzhanina, Anna V.; Goizman, Mikhail S.; Trzybinski, Damian; Wozniak, Krzysztof Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket IUCrJ, 2020, 7, 71-82
1556889	CIF	C54 H42 Cu2 N2 O8	C 1 2/c 1	24.633; 12.093; 15.509 90; 108.48; 90	4382	Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89
1556890	CIF	C54 H40 Cu2 F2 N2 O8	C 1 2/c 1	24.9699; 12.1074; 15.4675 90; 108.809; 90	4426.4	Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89
1556891	CIF	C54 H40 Cu2 F2 N2 O8	C 1 2/c 1	25.1802; 12.0004; 15.5976 90; 108.802; 90	4461.7	Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89
1556892	CIF	C54 H40 Cu2 F2 N2 O8	P -1	10.3725; 11.0398; 12.0294 71.354; 66.229; 65.356	1126.6	Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J. Extraordinary anisotropic thermal expansion in photosalient crystals IUCrJ, 2020, 7, 83-89
1556893	CIF	C5 H5 N	P 21 21 21	5.392; 6.806; 11.261 90; 90; 90	413.3	Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon High-pressure polymorphism in pyridine IUCrJ, 2020, 7, 58-70
1556894	CIF	C5 H5 N	P 41 21 2	5.4053; 5.4053; 13.4853 90; 90; 90	394	Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon High-pressure polymorphism in pyridine IUCrJ, 2020, 7, 58-70
1556899	CIF	C144 H300 Ni6 S12	P -1	13.0353; 18.6391; 19.8731 108.331; 108.152; 101.306	4117.5	Zhuang, Zhihua; Chen, Wei One-step rapid synthesis of Ni<sub>6</sub>(C<sub>12</sub>H<sub>25</sub>S)<sub>12</sub> nanoclusters for electrochemical sensing of ascorbic acid. The Analyst, 2020, 145, 2621-2630
1556900	CIF	C62 H79 Cl2 N5 O6 Pt S	I 1 2/a 1	26.7934; 12.4321; 39.1414 90; 106.494; 90	12501.4	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, 2020, 11, 1839-1847
1556901	CIF	C67 H79 B2 F8 N7 O6 Pt	P -1	10.1982; 18.2063; 19.7708 105.665; 99.693; 96.105	3439.2	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, 2020, 11, 1839-1847
1556902	CIF	C65 H76 F6 N6 O6 Pt Sb	P -1	11.78747; 15.5279; 22.4447 101.252; 102.144; 103.723	3769.49	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, 2020, 11, 1839-1847
1556903	CIF	C66 H77 B F4 N8 O5 Pt	P 1 21/n 1	21.738; 14.9289; 21.8888 90; 107.531; 90	6773.5	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, 2020, 11, 1839-1847
1556904	CIF	C69 H85 Ag F12 N6 O6 Pt Sb2	P 1 21/n 1	18.7462; 15.4022; 27.6759 90; 104.791; 90	7726.1	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, 2020, 11, 1839-1847
1556905	CIF	C60 H72 B F4 N5 O5 Pt	P -1	12.2375; 14.6363; 18.2789 81.118; 76.017; 74.098	3041.7	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, 2020, 11, 1839-1847
1556906	CIF	C67 H77 Ag F15 N7 O5 Pt Sb2.5	P -1	13.0371; 18.3984; 18.4639 88.81; 89.789; 83.438	4398.8	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, 2020, 11, 1839-1847
1556907	CIF	C23 H24 N2 O5 S	P 21 21 2	30.4605; 11.6596; 6.1159 90; 90; 90	2172.11	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, 2020, 11, 1636-1642
1556908	CIF	C20 H23 N3 O3	P 21 21 21	7.191; 13.5045; 18.6644 90; 90; 90	1812.52	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, 2020, 11, 1636-1642
1556909	CIF	C20 H25 N3 O2	P 1 21/n 1	6.8118; 17.5495; 15.1113 90; 91.427; 90	1805.9	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, 2020, 11, 1636-1642
1556910	CIF	C22 H21.25 N3 O2.125	P 1 21 1	10.18405; 9.71457; 18.82762 90; 93.0169; 90	1860.1	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, 2020, 11, 1636-1642
1556911	CIF	C24 H21 F3 N2 O4 S	P 21 21 21	32.8358; 11.60538; 5.85758 90; 90; 90	2232.16	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, 2020, 11, 1636-1642
1556912	CIF	C22 H25 N3 O2	P 1 21 1	12.4713; 9.02632; 17.84198 90; 92.8702; 90	2005.95	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, 2020, 11, 1636-1642
1556913	CIF	C20 H19 N3 O	P 1 21 1	10.10659; 5.94958; 13.62038 90; 99.5974; 90	807.53	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, 2020, 11, 1636-1642
1556914	CIF	C28 H30 N2 O2	P 21 21 21	8.33247; 15.71709; 17.93381 90; 90; 90	2348.65	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, 2020, 11, 1636-1642
1556915	CIF	C24 H24 N2 O4 S	P 21 21 21	6.0985; 11.5023; 30.8387 90; 90; 90	2163.2	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, 2020, 11, 1636-1642
1556927	CIF	C9 H19 I2 N3 Pd	C 1 2/c 1	14.7908; 7.8079; 27.592 90; 99.197; 90	3145.5	Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P. Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators Catalysis Science & Technology, 2020, 10, 1228-1247
1556928	CIF	C13 H21 I2 N3 Pd	P 1 21/c 1	17.5721; 12.5994; 8.4655 90; 99.55; 90	1848.27	Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P. Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators Catalysis Science & Technology, 2020, 10, 1228-1247
1556929	CIF	C15 H17 I2 N3 Pd	C 1 2/c 1	21.6545; 8.657; 20.1671 90; 95.408; 90	3763.8	Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P. Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators Catalysis Science & Technology, 2020, 10, 1228-1247
1556930	CIF	C16 H19 I2 N3 Pd	P -1	9.5333; 10.964; 11.3716 62.48; 79.571; 67.896	976.59	Khazipov, Oleg V.; Shevchenko, Maxim A.; Pasyukov, Dmitry V.; Chernenko, Andrey Yu.; Astakhov, Alexander V.; Tafeenko, Victor A.; Chernyshev, Victor M.; Ananikov, Valentine P. Preventing Pd‒NHC bond cleavage and switching from nano-scale to molecular catalytic systems: amines and temperature as catalyst activators Catalysis Science & Technology, 2020, 10, 1228-1247
1556981	CIF	La3 Li6.5 Nb0.5 O12 Zr1.5	I a -3 d	12.913; 12.913; 12.913 90; 90; 90	2153.2	Kataoka, K. Oxide single crystals with high lithium-ion conductivity as solid electrolytes for all-solid-state lithium secondary battery applications Journal of the Ceramic Society of Japan, 2020, 128, 7-18
1556982	CIF	La3 Li6.5 O12 Ta0.5 Zr1.5	I a -3 d	12.9445; 12.9445; 12.9445 90; 90; 90	2168.98	Kataoka, K. Oxide single crystals with high lithium-ion conductivity as solid electrolytes for all-solid-state lithium secondary battery applications Journal of the Ceramic Society of Japan, 2020, 128, 7-18
1556983	CIF	C23 H19.35 N5 O4.18	P 21 21 21	7.4338; 19.1874; 28.7281 90; 90; 90	4097.64	Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>. Journal of natural products, 2020, 83, 169-173
1556984	CIF	C25 H25 N5 O5	P 61	13.718; 13.718; 21.48 90; 90; 120	3500.6	Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>. Journal of natural products, 2020, 83, 169-173
1556985	CIF	C6 H12 N4 O8 P2 S2	P 1 21/c 1	4.6777; 8.716; 17.1651 90; 91.394; 90	699.628	Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals The Journal of Physical Chemistry C, 2020
1556986	CIF	C6 H20 N4 O16 P4 S2	P 1 21/n 1	11.0254; 7.0847; 13.0691 90; 96.516; 90	1014.26	Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals The Journal of Physical Chemistry C, 2020
1556987	CIF	C3 H6 N2 O4 P S	P -1	5.40917; 7.805; 8.856 63.995; 84.123; 83.101	333.08	Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals The Journal of Physical Chemistry C, 2020
1556988	CIF	C3 H9 N2 O8 P2 S	P -1	5.26221; 8.96277; 10.8217 97.609; 95.9417; 98.5964	496.242	Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals The Journal of Physical Chemistry C, 2020
1556989	CIF	C6 H9 N4 O4 P S2	P 1 21/c 1	13.8433; 10.0451; 8.1208 90; 95.19; 90	1124.63	Yuan, Guohao; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki Highly Proton-Conducting Mixed Proton-Transferred [(H2PO4‒)(H3PO4)]∞Networks Supported by 2,2′-Diaminobithiazolium in Crystals The Journal of Physical Chemistry C, 2020
1556992	CIF	C18 H16 O4	P b c n	9.7263; 11.8883; 24.935 90; 90; 90	2883.2	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, 2020, 11, 2130-2135
1556993	CIF	C26 H24 N2 O2 S	P -1	10.6565; 11.1408; 12.3 69.374; 76.912; 65.303	1236.26	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, 2020, 11, 1672-1676
1556994	CIF	C28 H26 N2	P 21 21 21	9.072; 9.846; 23.918 90; 90; 90	2136.4	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, 2020, 11, 1672-1676
1556995	CIF	C54 H31.2 F0.8 O8 Zn2	C 1 2/c 1	37.1066; 31.0733; 11.8903 90; 99.208; 90	13533.1	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, 2020, 11, 1814-1824
1557016	CIF	C22 H30 O2	P 1 21/n 1	9.223; 6.718; 15.694 90; 90.983; 90	972.3	Shu, Zhibin; Zhang, Qing; Zhang, Pan; Qin, Zhengsheng; Liu, Dan; Gao, Xiong; Guan, Bo; Qi, Haoyuan; Xiao, Mengqi; Wei, Zhongming; Dong, Huanli; Hu, Wenping Preparing two-dimensional crystalline conjugated polymer films by synergetic polymerization and self-assembly at air/water interface Polymer Chemistry, 2020, 11, 1572-1579
1557022	CIF	C4 H18 Br5 N3 Pb S2	P 1 21 1	10.066; 8.4068; 10.9787 90; 104.155; 90	900.8	Bakthavatsalam, Rangarajan; Haris, Muhammed P. U.; Shaikh, Samir R.; Lohar, Amruta; Mohanty, Ashutosh; Moghe, Dhanashree; Sharma, Shivani; Biswas, Chinmoy; Raavi, Sai Santhosh Kumar; Gonnade, Rajesh G.; Kundu, Janardan Ligand Structure Directed Dimensionality Reduction (2D →1D) in Lead Bromide Perovskite The Journal of Physical Chemistry C, 2020
1557023	CIF	C3 H11 Br4 N3 Pb S	P 1 21/c 1	13.3113; 8.5838; 12.0368 90; 90.406; 90	1375.31	Bakthavatsalam, Rangarajan; Haris, Muhammed P. U.; Shaikh, Samir R.; Lohar, Amruta; Mohanty, Ashutosh; Moghe, Dhanashree; Sharma, Shivani; Biswas, Chinmoy; Raavi, Sai Santhosh Kumar; Gonnade, Rajesh G.; Kundu, Janardan Ligand Structure Directed Dimensionality Reduction (2D →1D) in Lead Bromide Perovskite The Journal of Physical Chemistry C, 2020
1557024	CIF	C38 H34 S4	C 1 2/c 1	41.708; 5.7563; 12.67 90; 98.46; 90	3008.8	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, 2020, 11, 1825-1831
1557025	CIF	C42 H42 S4	P 1 21/c 1	23.82; 5.837; 12.5 90; 104.133; 90	1685	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, 2020, 11, 1825-1831
1557026	CIF	C42 H42 S4	P 1 21/c 1	22.15; 5.7413; 13.1188 90; 95.85; 90	1659.6	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, 2020, 11, 1825-1831
1557027	CIF	C66 H30 Al3 Ba F89 O9	P 1 c 1	28.173; 16.4313; 20.453 90; 90.107; 90	9468.1	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, 2020, 11, 2068-2076
1557028	CIF	C52 H26 Al2 Ca F68 O7	P 1 21 1	17.765; 20.654; 20.031 90; 93.018; 90	7340	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, 2020, 11, 2068-2076
1557029	CIF	C36 H18 Al2 F55 In O6	P -1	10.6319; 22.3961; 24.4869 79.144; 79.696; 77.759	5537.2	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, 2020, 11, 2068-2076
1557030	CIF	C50 H22 Al2 F74 Mg N6 O8	P 1	14.3953; 18.2606; 25.8315 73.784; 74.37; 66.821	5895.1	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, 2020, 11, 2068-2076
1557031	CIF	C84 H34 Al4 F118 O12 Sr	P -1	13.8661; 20.2883; 23.0336 80.031; 85.985; 79.942	6278.6	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, 2020, 11, 2068-2076
1557032	CIF	C84 H34 Al4 Ca F118 O12	P -1	13.9542; 20.3286; 22.9128 80.085; 84.743; 80.239	6296.8	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, 2020, 11, 2068-2076
1557033	CIF	C60 H26 Al3 Ca F87 O9	P 1 21/c 1	23.429; 18.9075; 22.4874 90; 118.27; 90	8773.4	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, 2020, 11, 2068-2076
1557034	CIF	C66 H30 Al3 F89 O9 Sr	P -1	13.5412; 25.3825; 27.3385 90.017; 90.111; 92.474	9387.7	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, 2020, 11, 2068-2076
1557040	CIF	C17 H10 Br2 N2 O	P 1 21/n 1	10.0349; 8.3874; 17.4347 90; 91.005; 90	1467.2	Sala, Samuele; Nealon, Gareth L.; Sobolev, Alexandre N.; Fromont, Jane; Gomez, Oliver; Flematti, Gavin R. Structure Reassignment of Echinosulfone A and the Echinosulfonic Acids A-D Supported by Single-Crystal X-ray Diffraction and Density Functional Theory Analysis. Journal of natural products, 2020, 83, 105-110
1557041	CIF	C40 H49 Br N2 O	P 1 21/n 1	11.1088; 21.1979; 15.9518 90; 108.641; 90	3559.32	Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. A crystalline C5-protonated 1,3-imidazol-4-ylidene. Chemical communications (Cambridge, England), 2020, 56, 2027-2030
1557042	CIF	C42 H44 N2 Ni O3	P -1	10.35522; 11.18263; 16.4194 100.307; 95.6535; 99.0466	1831.63	Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. A crystalline C5-protonated 1,3-imidazol-4-ylidene. Chemical communications (Cambridge, England), 2020, 56, 2027-2030
1557043	CIF	C46 H52 Au Cl N2	P 1 21/c 1	12.2795; 16.812; 19.2885 90; 93.6946; 90	3973.7	Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. A crystalline C5-protonated 1,3-imidazol-4-ylidene. Chemical communications (Cambridge, England), 2020, 56, 2027-2030
1557044	CIF	C39 H44 N2	I 41/a :2	38.4682; 38.4682; 9.5772 90; 90; 90	14172.4	Rottschäfer, Dennis; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S. A crystalline C5-protonated 1,3-imidazol-4-ylidene. Chemical communications (Cambridge, England), 2020, 56, 2027-2030
1557045	CIF	C17 H14 Cl N O2	P 21 21 21	5.3182; 10.94; 23.9705 90; 90; 90	1394.63	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, 2020, 11, 2121-2129
1557052	CIF	C22 H28 N	P -1	5.899; 7.547; 20.535 83.465; 84.681; 82.512	897.7	Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte Singlet oxygen stimulus for switchable functional organic cages Chemical Science, 2020, 11, 1478-1484
1557053	CIF	C28 H18 O2	P 1 21/c 1	13.0175; 9.329; 8.3512 90; 106.37; 90	973.06	Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte Singlet oxygen stimulus for switchable functional organic cages Chemical Science, 2020, 11, 1478-1484
1557054	CIF	C20 H14 I N	P c c n	16.5305; 18.7386; 10.5281 90; 90; 90	3261.2	Martinez, Thibaut; Alahyen, Ismail; Lemière, Gilles; Mouriès-Mansuy, Virginie; Fensterbank, Louis Straightforward Access to 2-Iodoindolizines via Iodine-Mediated Cyclization of 2-Pyridylallenes Organic Process Research & Development, 2020
1557055	CIF	C20 H21 B Cl2 O2	C 1 2/c 1	27.001; 6.0841; 25.1455 90; 108.298; 90	3922	Rami, Fabian; Bächtle, Franziska; Plietker, Bernd Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity Catalysis Science & Technology, 2020, 10, 1492-1497
1557056	CIF	C22 H27 B O2	C 1 2/c 1	35.07; 6.2286; 20.596 90; 119.212; 90	3926.8	Rami, Fabian; Bächtle, Franziska; Plietker, Bernd Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity Catalysis Science & Technology, 2020, 10, 1492-1497
1557057	CIF	C22 H27 B O2	P c a 21	25.447; 6.3811; 24.281 90; 90; 90	3942.7	Rami, Fabian; Bächtle, Franziska; Plietker, Bernd Hydroboration of internal alkynes catalyzed by FeH(CO)(NO)(PPh3)2: a case of boron-source controlled regioselectivity Catalysis Science & Technology, 2020, 10, 1492-1497
1557058	CIF	C36.5 H57 B Cl F4 N4 P4 Rh	P 31 2 1	13.824; 13.824; 40.089 90; 90; 120	6635	Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates Catalysis Science & Technology, 2020, 10, 630-634
1557059	CIF	C27 H42 B Cl2 F4 N2 P2 Rh	P 1 21 1	9.7105; 14.3281; 11.2851 90; 96.031; 90	1561.44	Cunillera, Anton; de los Bernardos, Miriam Díaz; Urrutigoïty, Martine; Claver, Carmen; Ruiz, Aurora; Godard, Cyril Efficient synthesis of chiral γ-aminobutyric esters via direct rhodium-catalysed enantioselective hydroaminomethylation of acrylates Catalysis Science & Technology, 2020, 10, 630-634
1557060	CIF	C18 H19 N S Si	P -1	8.52831; 10.39109; 11.21545 117.584; 92.3119; 95.1854	873.5	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, 2020, 11, 1912-1917
1557061	CIF	C17 H13 N O S	C 1 2/c 1	20.6204; 9.4103; 16.7239 90; 120.205; 90	2804.6	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, 2020, 11, 1912-1917
1557062	CIF	C18 H15 N O S	P b c a	13.1964; 13.3812; 16.7048 90; 90; 90	2949.79	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, 2020, 11, 1912-1917
1557063	CIF	C11 H9 N O S	P 1 21/c 1	10.9143; 7.26579; 12.4737 90; 104.425; 90	957.99	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, 2020, 11, 1912-1917
1557064	CIF	C16 H21 N S Se Si	P 1 21/c 1	10.6588; 8.0663; 20.1272 90; 95.886; 90	1721.35	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, 2020, 11, 1912-1917
1557065	CIF	C22 H23 N S	P 1 21/c 1	13.9373; 7.7203; 17.0136 90; 105.984; 90	1759.89	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, 2020, 11, 1912-1917
1557066	CIF	C21 H20 S	P 1 21/n 1	7.5133; 25.6215; 8.2645 90; 100.591; 90	1563.83	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, 2020, 11, 1912-1917
1557067	CIF	C10 H7 N S	P -1	6.9027; 7.3743; 9.3503 68.861; 73.292; 84.246	425.18	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, 2020, 11, 1912-1917
1557068	CIF	C16 H11 N O S	P b c a	12.2557; 9.5626; 21.5616 90; 90; 90	2526.94	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, 2020, 11, 1912-1917
1557069	CIF	C17 H17 N S	P 1 21/c 1	11.1885; 11.263; 12.1884 90; 116.756; 90	1371.48	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, 2020, 11, 1912-1917
1557075	CIF	C55 H67 N3 O6 P2 Ru	P 1 21/n 1	17.5623; 13.934; 20.8795 90; 92.113; 90	5106	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, 2020, 11, 2225-2230
1557079	CIF	C25 H23 N O3	P 1 21 1	12.77764; 5.95718; 12.86001 90; 100.546; 90	962.352	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, 2020, 11, 2401-2406
1557080	CIF	C23 H29 N O2	P 21 21 21	10.3193; 10.5258; 18.2046 90; 90; 90	1977.36	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, 2020, 11, 2401-2406
1557081	CIF	C25 H25 N O3 S	P 21 21 21	5.909; 12.8175; 27.4929 90; 90; 90	2082.27	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, 2020, 11, 2401-2406
1557082	CIF	C24 H18 O3	C 1 2/c 1	21.613; 12.1859; 13.5922 90; 104.043; 90	3472.8	He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science, 2020, 11, 2001-2005
1557083	CIF	C26 H24 O6	P 1 21/c 1	14.145; 7.441; 24.56 90; 96.17; 90	2570	He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science, 2020, 11, 2001-2005
1557084	CIF	C22 H15 Cl O3	P 1 21/n 1	16.2589; 6.7715; 16.4568 90; 106.511; 90	1737.14	He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science, 2020, 11, 2001-2005
1557085	CIF	C25 H24 O7	P 1 21/n 1	12.5579; 5.2167; 35.021 90; 94.917; 90	2285.8	He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science, 2020, 11, 2001-2005
1557086	CIF	C25 H28 O8	C 1 2/c 1	29.9022; 11.0935; 13.4816 90; 99.73; 90	4407.8	He, Zhen; Perry, Gregory J. P.; Procter, David J. Sulfoxide-mediated oxidative cross-coupling of phenols Chemical Science, 2020, 11, 2001-2005
1557087	CIF	C39 H34 F6 N3 O P	P 1 21/c 1	9.3923; 29.4208; 11.9664 90; 102.511; 90	3228.14	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, 2020, 11, 2494-2503
1557088	CIF	C27 H22 N2 O	P 1 21/n 1	9.53897; 23.141; 9.5721 90; 107.33; 90	2017.04	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, 2020, 11, 2494-2503
1557089	CIF	C78 H190 Dy2 K2 N6 O21 Si12	C 1 2/c 1	25.4899; 18.8304; 25.7453 90; 103.128; 90	12034.4	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, 2020, 11, 2006-2014
1557090	CIF	C42 H102 Dy K N3 O12 Si6	P 1 21/n 1	11.0616; 27.199; 21.7721 90; 103.885; 90	6359	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, 2020, 11, 2006-2014
1557091	CIF	C78 H190 K2 N6 O21 Si12 Tm2	C 1 2/c 1	25.453; 18.757; 25.744 90; 103.142; 90	11969	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, 2020, 11, 2006-2014
1557092	CIF	C42 H102 K N3 O12 Si6 Tm	P 21 21 21	21.956; 22.554; 25.737 90; 90; 90	12745	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, 2020, 11, 2006-2014
1557093	CIF	C52 H124 Gd2 K2 N4 O16 Si8	P -1	12.6614; 15.5498; 21.205 94.4758; 94.0831; 105.746	3987.4	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, 2020, 11, 2006-2014
1557094	CIF	C36 H90 Gd K N5 O6 Si6	R 3 2 :H	18.564; 18.564; 18.05 90; 90; 120	5387	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, 2020, 11, 2006-2014
1557095	CIF	C42 H102 Er K N3 O12 Si6	P 1 21/n 1	11.064; 27.08; 21.797 90; 103.991; 90	6337	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, 2020, 11, 2006-2014
1557096	CIF	C42 H102 Ho K N3 O12 Si6	P 1 21/n 1	11.0476; 27.157; 21.797 90; 103.905; 90	6347.9	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, 2020, 11, 2006-2014
1557097	CIF	C42 H102 Gd K N3 O12 Si6	P 1 21/n 1	11.1493; 27.059; 21.755 90; 104.007; 90	6368.1	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, 2020, 11, 2006-2014
1557098	CIF	C42 H102 K N3 O12 Si6 Tb	P 1 21/n 1	11.1324; 27.081; 21.775 90; 103.924; 90	6371.8	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, 2020, 11, 2006-2014
1557099	CIF	C78 H190 Gd2 K2 N6 O21 Si12	C 1 2/c 1	25.507; 18.806; 25.726 90; 103.21; 90	12014	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, 2020, 11, 2006-2014
1557100	CIF	C42 H102 K N3 O12 Si6 Y	P 1 21/n 1	11.0774; 27.0905; 21.7959 90; 104; 90	6346.5	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, 2020, 11, 2006-2014
1557101	CIF	C78 H190 Ho2 K2 N6 O21 Si12	C 1 2/c 1	25.514; 18.8; 25.712 90; 103.167; 90	12009	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, 2020, 11, 2006-2014
1557105	CIF	C104 H96 B4 F16 N8 O4 Pd2	I 1 2/a 1	28.36; 12.35285; 27.666 90; 94.6541; 90	9660.2	Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E. Conformational control of Pd2L4 assemblies with unsymmetrical ligands Chemical Science, 2020, 11, 677-683
1557106	CIF	C123 H119 B4 F16 N17 O9 Pd2	C 1 2/c 1	23.2193; 15.8896; 38.7298 90; 112.281; 90	13222.3	Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E. Conformational control of Pd2L4 assemblies with unsymmetrical ligands Chemical Science, 2020, 11, 677-683
1557107	CIF	C16 H19 I N2	P 1 21/c 1	6.29025; 7.62301; 32.0065 90; 90.1584; 90	1534.73	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, 2020, 11, 661-670
1557108	CIF	C64 H87 I3 N5 O2	P -1	14.6729; 15.6807; 16.4518 85.945; 73.88; 62.636	3222.3	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, 2020, 11, 661-670
1557109	CIF	C17 H18 I N2	P 21 21 21	6.9063; 7.9318; 30.157 90; 90; 90	1651.98	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, 2020, 11, 661-670
1557110	CIF	C73 H92 N5 O2 U	P -1	13.2857; 13.9411; 20.5686 103.573; 95.666; 116.252	3230.4	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science, 2020, 11, 2381-2387
1557111	CIF	C75 H88 N8 U	P -1	13.1219; 13.5561; 20.3099 78.109; 76.264; 68.201	3230.5	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science, 2020, 11, 2381-2387
1557112	CIF	C76 H99 N6 O P U	P 1 21/c 1	25.884; 13.889; 21.315 90; 110.09; 90	7197	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science, 2020, 11, 2381-2387
1557113	CIF	C75 H96 N6 U	P 1 21/n 1	14.7113; 12.979; 36.748 90; 94.521; 90	6994.8	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science, 2020, 11, 2381-2387
1557114	CIF	C82 H101 N7 O U	P -1	13.1812; 15.8571; 19.6743 110.71; 90.48; 105.002	3692.6	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye Intra- and intermolecular interception of a photochemically generated terminal uranium nitride Chemical Science, 2020, 11, 2381-2387
1557115	CIF	C33 H26 O2	P 21 21 21	11.3659; 11.9259; 17.9314 90; 90; 90	2430.58	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, 2020, 11, 671-676
1557116	CIF	C64 H88	P -1	14.635; 18.1373; 22.0161 79.631; 75.201; 74.12	5396.2	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, 2020, 11, 2051-2057
1557117	CIF	C61 H39 B F24 N7 Rh	P -1	12.9083; 14.2464; 20.148 74.898; 79.351; 89.459	3512.7	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, 2020, 11, 2051-2057
1557118	CIF	C67 H62 B F24 N5 Rh	P -1	11.7452; 16.7896; 18.5777 84.062; 73.668; 70.038	3304.3	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, 2020, 11, 2051-2057
1557119	CIF	C32 H16 F8	P -1	10.7497; 11.175; 11.5688 96.962; 96.945; 116.711	1207.93	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, 2020, 11, 2051-2057
1557120	CIF	C60 H51 B Cl2 F24 N5 Rh	C 1 c 1	19.4406; 17.1714; 19.516 90; 103.079; 90	6345.86	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, 2020, 11, 2051-2057
1557121	CIF	C54 H37 B F24 N5 Rh	C 1 2/c 1	16.95902; 18.45666; 34.7576 90; 98.7133; 90	10753.8	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, 2020, 11, 2051-2057
1557122	CIF	C68 H45 B F25 N5 O Rh	P -1	13.01044; 20.05043; 26.99316 90.7652; 97.9088; 106.636	6672.31	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, 2020, 11, 2051-2057
1557123	CIF	C21 H20 O6	P 21 21 21	8.6977; 9.9164; 20.6241 90; 90; 90	1778.83	Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science, 2020, 11, 2175-2180
1557124	CIF	C37 H32 Br2 O9	P 1 21/c 1	15.4799; 12.7561; 17.7032 90; 110.471; 90	3275	Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science, 2020, 11, 2175-2180
1557125	CIF	C20 H20 O6	P 1 21/c 1	11.1979; 12.5205; 24.904 90; 93.401; 90	3485.5	Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science, 2020, 11, 2175-2180
1557126	CIF	C18 H16 O5	P 1 21 1	11.2987; 10.6941; 11.9582 90; 90.723; 90	1444.79	Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science, 2020, 11, 2175-2180
1557127	CIF	C18 H18 O7	P 1 21/n 1	13.6526; 9.772; 24.8831 90; 101.015; 90	3258.6	Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science, 2020, 11, 2175-2180
1557128	CIF	C27 H29 N O8	P 1 21 1	10.1038; 12.0566; 10.4153 90; 97.827; 90	1256.95	Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science, 2020, 11, 2175-2180
1557129	CIF	C17 H20 O6	P 1 21 1	7.091; 16.2621; 13.2704 90; 92.494; 90	1528.82	Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science, 2020, 11, 2175-2180
1557130	CIF	C27 H29 N O8	C 1 2 1	26.9187; 7.6682; 12.9814 90; 108.271; 90	2544.5	Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A. Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis Chemical Science, 2020, 11, 2175-2180
1557131	CIF	C6 H5 D N2	P b c a	6.0431; 13.3857; 14.3592 90; 90; 90	1161.53	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, 2020, 11, 742-747
1557132	CIF	In8 Ir1.5 S5.25	P 3 1 m	13.9378; 13.9378; 8.2316 90; 90; 120	1384.9	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, 2020, 11, 870-878
1557138	CIF	C19 H30 O3	P 1 21 1	8.4484; 22.6578; 17.8169 90; 90.006; 90	3410.55	Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018. Journal of natural products, 2020
1557139	CIF	C19 H30 O3	P 21 21 21	6.8215; 10.0565; 24.1425 90; 90; 90	1656.2	Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018. Journal of natural products, 2020
1557140	CIF	C19 H30 O2	C 1 2 1	21.2462; 8.9711; 8.8437 90; 98.376; 90	1667.65	Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018. Journal of natural products, 2020
1557141	CIF	C68 H50 N2 O4	P 1 21 1	13.949; 15.719; 15.272 90; 107.438; 90	3194.7	Chen, Michelle; Powers-Riggs, Natalia E.; Coleman, Adam F.; Young, Ryan M.; Wasielewski, Michael R. Singlet Fission in Quaterrylenediimide Thin Films The Journal of Physical Chemistry C, 2020
1557142	CIF	C18 H20 Cl N3 O Pd	P -1	7.5074; 11.2005; 11.2581 70.42; 78.131; 84.462	872.46	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, 2020, 11, 2455-2463
1557143	CIF	C23 H24 N O4 P	P 1 21/c 1	14.1914; 9.0659; 16.0033 90; 101.488; 90	2017.7	Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence Mechanofluorochromism of pyrene-derived amidophosphonates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 229-234
1557144	CIF	C25 H28 N O4 P	C 1 2/c 1	26.8408; 9.9974; 17.4578 90; 110.506; 90	4387.8	Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence Mechanofluorochromism of pyrene-derived amidophosphonates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 229-234
1557145	CIF	C28 H26 N O4 P	P -1	9.7414; 10.2898; 13.4571 110.284; 109.513; 90.732	1179.9	Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence Mechanofluorochromism of pyrene-derived amidophosphonates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 229-234
1557149	CIF	C30 H32 N4 O3	P 1 21/n 1	12.2782; 11.9261; 18.859 90; 103.754; 90	2682.4	Wang, Shuo; Ren, Jia-Shu; Shan, Lian-Yun; Sun, Xiao-Yan; Di, Bin; Gu, Ning; Chen, Jin-Long Triplexed Tracking Labile Sulfur-Containing Species on a Single-Molecule "Nezha" Sensor. Analytical chemistry, 2020
1557155	CIF	C116 H154 Cl N9 O9 Ti2	P 1 21/n 1	26.5998; 13.18144; 32.7719 90; 104.629; 90	11118.1	Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters Catalysis Science & Technology, 2020, 10, 1619-1639
1557156	CIF	C30 H44 Cl2 O2 Ti	P 1 21 1	11.0509; 9.6943; 14.8668 90; 108.131; 90	1513.61	Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters Catalysis Science & Technology, 2020, 10, 1619-1639
1557157	CIF	C220 H283 Cl6 N15 O20 Ti6	P -1	17.651; 18.2749; 19.8507 67.4531; 68.6833; 73.3966	5428.93	Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters Catalysis Science & Technology, 2020, 10, 1619-1639
1557158	CIF	C125 H172.5 Cl N8.5 O9 Ti2	P -1	17.4371; 17.7765; 21.1345 100.63; 93.526; 104.426	6195.8	Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters Catalysis Science & Technology, 2020, 10, 1619-1639
1557159	CIF	C120 H164 Cl2 N6 O8 Ti2	P -1	12.5697; 18.1183; 27.5282 104.559; 98.781; 102.093	5792.04	Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters Catalysis Science & Technology, 2020, 10, 1619-1639
1557160	CIF	C108 H140 Cl N7 O9 Ti2	P -1	13.9465; 17.4744; 23.5392 85.6028; 74.2347; 74.5316	5320.83	Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters Catalysis Science & Technology, 2020, 10, 1619-1639
1557161	CIF	C130.71 H174.42 Cl N2.85 O11.43 Ti2	P -1	16.3253; 17.3213; 23.5069 102.481; 91.495; 101.593	6340.9	Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters Catalysis Science & Technology, 2020, 10, 1619-1639
1557162	CIF	C113 H149.5 Cl N7.5 O9 Ti2	P 1 21/n 1	26.6007; 13.18235; 32.7812 90; 104.622; 90	11122.7	Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters Catalysis Science & Technology, 2020, 10, 1619-1639
1557163	CIF	C49 H61 Cl N2 O4 Ti	P -1	12.14575; 18.0271; 21.0909 95.2564; 105.355; 90.2869	4432.27	Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters Catalysis Science & Technology, 2020, 10, 1619-1639
1557164	CIF	C54 H72 Cl2 N2 O4 Ti	C 1 2/c 1	43.9803; 12.41683; 19.4608 90; 94.9954; 90	10587.1	Sun, Ziyue; Zhao, Yanxia; Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Zahra, Khadisha; Walton, Alex; Redshaw, Carl Use of titanocalix[4]arenes in the ring opening polymerization of cyclic esters Catalysis Science & Technology, 2020, 10, 1619-1639
1557165	CIF	C100 H102 Au4 P2 Ru2 S8	P 1 21/c 1	13.9904; 14.295; 48.384 90; 94.664; 90	9644.4	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, 2020, 11, 2440-2447
1557169	CIF	C23 H22 O5	P 1 21/c 1	16.4615; 7.573; 16.0803 90; 111.302; 90	1867.7	Maeda, Gasper; van der Wal, Jelle; Gupta, Arvind Kumar; Munissi, Joan J. E.; Orthaber, Andreas; Sunnerhagen, Per; Nyandoro, Stephen S.; Erdélyi, Máté Oxygenated Cyclohexene Derivatives and Other Constituents from the Roots of <i>Monanthotaxis trichocarpa</i>. Journal of natural products, 2020
1557170	CIF	C22 H21 Cl O6	P 1 21 1	5.933; 13.4485; 12.3282 90; 96.291; 90	977.74	Maeda, Gasper; van der Wal, Jelle; Gupta, Arvind Kumar; Munissi, Joan J. E.; Orthaber, Andreas; Sunnerhagen, Per; Nyandoro, Stephen S.; Erdélyi, Máté Oxygenated Cyclohexene Derivatives and Other Constituents from the Roots of <i>Monanthotaxis trichocarpa</i>. Journal of natural products, 2020
1557171	CIF	C37 H53 F N2 O2 Zn	P 1 21/n 1	22.1881; 11.5778; 29.7479 90; 106.38; 90	7331.75	Jiang, Jinxing; Cui, Yaqin; Lu, Yaguang; Zhang, Bin; Pan, Xiaobo; Wu, Jincai Weak Lewis Pairs as Catalysts for Highly Isoselective Ring-Opening Polymerization of Epimerically Labile rac-O-Carboxyanhydride of Mandelic Acid Macromolecules, 2020
1557172	CIF	C36 H51 F N2 O2 Zn	P 1 21/c 1	15.3766; 17.6353; 13.571 90; 105.2; 90	3551.32	Jiang, Jinxing; Cui, Yaqin; Lu, Yaguang; Zhang, Bin; Pan, Xiaobo; Wu, Jincai Weak Lewis Pairs as Catalysts for Highly Isoselective Ring-Opening Polymerization of Epimerically Labile rac-O-Carboxyanhydride of Mandelic Acid Macromolecules, 2020
1557173	CIF	C54.28 H49.13 Ir O0.28 P3	P 1 21/c 1	17.31801; 12.99024; 19.71788 90; 94.4442; 90	4422.5	Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B. Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst. Catalysis science & technology, 2020, 10, 1343-1355
1557174	CIF	C57 H68 Cl2 Ir2 N4 O S2	P 1 21/c 1	12.9317; 16.6; 25.5365 90; 90.2757; 90	5481.76	Tickner, Ben J.; Semenova, Olga; Iali, Wissam; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B. Optimisation of pyruvate hyperpolarisation using SABRE by tuning the active magnetisation transfer catalyst. Catalysis science & technology, 2020, 10, 1343-1355
1557175	CIF HKL Paper	C16 H21 N3 O4	P -1	8.127; 8.411; 12.536 105.36; 96.52; 94.77	815.2	Yoo, Miri; Koh, Dongsoo Diethyl 4-(1<i>H</i>-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate IUCrData, 2020, 5, x200034
1557176	CIF HKL Paper	C25 H22 N2 O2 Se	P 1 21/c 1	13.209; 6.343; 27.08 90; 103.356; 90	2207.5	Morris, LaQuze L.; Alvarado, Clarisa A.; Goncalves, Julia M.; Singh, Ravi P.; Lovely, Carl J.; Yousufuddin, Muhammed [4-(4-Methoxyphenyl)-8-oxo-3-(phenylselanyl)spiro[4.5]deca-3,6,9-trien-2-yl]methylcyanamide IUCrData, 2020, 5, x200078
1557177	CIF HKL Paper	C40 H74 Co N8 S4	P -1	7.484; 8.587; 18.523 83.782; 81.868; 71.189	1113	Giltzau, Niels Ole; Köckerling, Martin Bis(1-dodecyl-4-aza-1-azoniabicyclo[2.2.2]octane)tetraisothiocyanatocobalt(II) IUCrData, 2020, 5, x200023
1557178	CIF HKL Paper	C18 H17 F O5	P 1 21/c 1	15.5801; 8.3414; 12.1298 90; 97.086; 90	1564.35	Yoo, Miri; Koh, Dongsoo (<i>E</i>)-1-(4-Fluoro-2-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one IUCrData, 2020, 5, x200071
1557183	CIF	C26 H28 N4 O5	P 41	11.7728; 11.7728; 17.1159 90; 90; 90	2372.2	Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020
1557184	CIF	C13 H15 N3 O5	P 21 21 21	8.4194; 8.5433; 19.1641 90; 90; 90	1378.46	Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020
1557185	CIF	C25 H23 F4 N5 O5	P 1	10.1492; 10.1392; 25.2626 96.515; 96.515; 107.35	2435.42	Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020
1557186	CIF	C15 H14 N4 O2	P 21 21 21	5.8178; 16.9835; 28.2863 90; 90; 90	2794.9	Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020
1557187	CIF	C15 H16 O6	P 1 21/c 1	6.20271; 12.9748; 17.3444 90; 96.612; 90	1386.57	Liu, Tingting; Wu, Haibo; Zhang, Jing; Deng, Wenjie; Yang, Luowenlei Modified Eremophilanes from Parasenecio hastatus and Their Neuroprotective Activities Journal of Natural Products, 2020
1557188	CIF	C16 H18 O3	P 1 21 1	8.7529; 5.1376; 14.4614 90; 104.921; 90	628.39	Liu, Tingting; Wu, Haibo; Zhang, Jing; Deng, Wenjie; Yang, Luowenlei Modified Eremophilanes from Parasenecio hastatus and Their Neuroprotective Activities Journal of Natural Products, 2020
1557189	CIF	C22 H12 F6 N2 O3	P 1 21/n 1	10.7749; 15.2475; 12.314 90; 108.515; 90	1918.4	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, 2020, 11, 2420-2428
1557193	CIF	C20 H14	P 1 21/c 1	14.0565; 5.9201; 7.8474 90; 92.837; 90	652.23	Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties The Journal of Physical Chemistry C, 2020
1557194	CIF	C20 H14	P 1 21/c 1	13.5349; 6.0042; 8.1543 90; 94.232; 90	660.86	Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties The Journal of Physical Chemistry C, 2020
1557195	CIF	C20 H14	P -1	5.9457; 7.8815; 14.0822 86.684; 87.09; 88.848	657.85	Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties The Journal of Physical Chemistry C, 2020
1557196	CIF	C20 H14	P -1	6.087; 7.5639; 14.4293 97.942; 95.597; 90.921	654.54	Shibuya, Yusuke; Aonuma, Kazuhiro; Kimura, Tomohiro; Kaneko, Takuro; Fujiwara, Wataru; Yamaguchi, Yuji; Kumaki, Daisuke; Tokito, Shizuo; Katagiri, Hiroshi Linear Biazulene Isomers: Effects of Molecular and Packing Structure on Optoelectronic and Charge-Transport Properties The Journal of Physical Chemistry C, 2020
1557197	CIF	C58 H62 N6 O13 Zn2	P 1 21/c 1	15.21; 16.731; 23.716 90; 104.529; 90	5842	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, 2020, 11, 2640-2646
1557201	CIF	C23 H28 O8	P 1 21 1	5.996; 12.4304; 14.2341 90; 94.361; 90	1057.83	Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng 19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius Journal of Natural Products, 2020
1557202	CIF	C21 H26 O5	P 1	6.3062; 7.6848; 9.7183 87.904; 80.198; 87.694	463.505	Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng 19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius Journal of Natural Products, 2020
1557203	CIF	C21 H26 O6	P 21 21 21	8.0315; 8.3527; 27.8078 90; 90; 90	1865.48	Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng 19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius Journal of Natural Products, 2020
1557204	CIF	C24 H26 O10	P 21 21 21	7.77753; 10.89287; 25.97545 90; 90; 90	2200.63	Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng 19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius Journal of Natural Products, 2020
1557205	CIF	C23 H28 O8	P 21 21 21	7.9019; 10.2955; 25.9952 90; 90; 90	2114.81	Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng 19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius Journal of Natural Products, 2020
1557206	CIF	C20 H30 N2 O2	P 1 21/c 1	11.012; 16.138; 11.225 90; 96.899; 90	1980	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, 2020, 11, 2707-2715
1557207	CIF	C19 H29 N3 O2	I 1 2/a 1	17.03; 10.58; 22.26 90; 103.23; 90	3904	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, 2020, 11, 2707-2715
1557208	CIF HKL Paper	C20 H24 N2 O6 S2	C 1 2/c 1	29.1537; 8.8739; 19.9919 90; 123.621; 90	4306.9	Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R. Benzene-1,2-diaminium bis(4-methylbenzene-1-sulfonate) IUCrData, 2020, 5, x200100
1557209	CIF HKL Paper	Br Cs F4	I m m m	5.5075; 6.789; 12.2572 90; 90; 90	458.3	Malin, Artem V.; Ivlev, Sergei I.; Ostvald, Roman V.; Kraus, Florian Redetermination of the crystal structure of caesium tetrafluoridobromate(III) from single-crystal X-ray diffraction data IUCrData, 2020, 5, x200114
1557210	CIF HKL Paper	C19 H13 I O2	P 1 21/n 1	7.0481; 18.2185; 12.6391 90; 104.947; 90	1568.02	Dean, Raven; Miller, Chelsea N.; Zingales, Sarah K.; Padgett, Clifford W. 3-(4-Iodophenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one IUCrData, 2020, 5, x200110
1557213	CIF	C29 H21 N	P 1 21/c 1	16.841; 5.9463; 21.001 90; 96.31; 90	2090.3	Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction The Journal of Physical Chemistry C, 2020
1557214	CIF	C29 H21 N	P 4/n :2	27.4933; 27.4933; 5.8624 90; 90; 90	4431.3	Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction The Journal of Physical Chemistry C, 2020
1557215	CIF	C29 H21 N	P 1 21/c 1	5.5332; 11.857; 31.179 90; 90.172; 90	2045.6	Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction The Journal of Physical Chemistry C, 2020
1557220	CIF	S8	F d d d :2	10.331; 12.6786; 24.3519 90; 90; 90	3189.7	MIKURIYA, Masahiro; TANIGUCHI, Kazuki; KOYAMA, Yoshiki; WATANABE, Hiroaki; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji; ASATO, Eiji Crystal Structure of S<sub>8</sub> Molecule from Thiourea X-ray Structure Analysis Online, 2020, 36, 1-2
1557221	CIF	C398.15 H435.65 B16 Co8 F64 N74.85 O39.35	C 1 2/c 1	32.77108; 30.00687; 40.3365 90; 96.1279; 90	39438.6	Mozaceanu,; Taylor,; Piper,; Argent,; Ward, Catalysis of an Aldol Condensation Using a Coordination Cage Chemistry, 2020, 2, 22-32
1557222	CIF	C20 H12 Cu N2 O4	P 1 21/c 1	5.6674; 10.9072; 14.5876 90; 93.491; 90	900.07	He, Tengjiao; Xiao, Yonghou; Zhao, Qidong; Zhou, Mengxue; He, Gaohong Ultramicroporous Metal‒Organic Framework Qc-5-Cu for Highly Selective Adsorption of CO2 from C2H4 Stream Industrial & Engineering Chemistry Research, 2020
1557223	CIF	C55.6 H49 Br2 Cl2 Cu F6 N2 O1.9 P3	P -1	10.93; 14.2927; 19.2894 70.366; 86.491; 73.206	2715	Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands Inorganics, 2020, 8, 4
1557224	CIF	C49 H36 Br2 Cl2 Cu F6 N2 O P3	P -1	12.4032; 18.9805; 22.0591 70.33; 77.791; 87.292	4777.9	Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands Inorganics, 2020, 8, 4
1557225	CIF	C50 H39 Br2 Cu F6 N2 O1.5 P3	P -1	15.1949; 18.5322; 18.5423 107.867; 104.444; 101.088	4603.2	Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands Inorganics, 2020, 8, 4
1557226	CIF	C54.9 H47.2 Br2 Cl2.2 Cu F6 N2 O1.7 P3	P -1	10.1768; 13.7504; 20.1505 90.204; 98.12; 99.535	2751.9	Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands Inorganics, 2020, 8, 4
1557227	CIF	C52.1 H40.2 Br2 Cl2.2 Cu F6 N2 O P3	C 1 2/m 1	33.3182; 14.105; 11.8205 90; 102.059; 90	5432.5	Nohara, Isaak; Keller, Aramis; Tarassenko, Nikolai; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. Heteroleptic [Cu(P^P)(N^N)][PF6] Compounds with Isomeric Dibromo-1,10-Phenanthroline Ligands Inorganics, 2020, 8, 4
1557228	CIF	C101 H48 F40 N12 Ni O7	P n a 21	27.571; 19.7599; 19.1951 90; 90; 90	10457.5	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, 2020, 11, 2790-2795
1557229	CIF	C89.5 H19 Cl Cu F40 N8 Ni O3	C 1 2/c 1	47.886; 13.8742; 28.061 90; 119.602; 90	16210	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, 2020, 11, 2790-2795
1557230	CIF	C89 H22 F40 N8 O3	P -1	11.6188; 14.403; 26.7956 82.937; 77.65; 70.954	4133.7	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, 2020, 11, 2790-2795
1557231	CIF	C97 H32 F40 N12 Ni O3	P -1	14.057; 14.08; 24.646 92.257; 101.581; 108.23	4511.4	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, 2020, 11, 2790-2795
1557232	CIF	C89 H18 Cu F40 N8 Ni O3	P -1	14.0363; 14.1385; 24.8547 91.904; 101.174; 107.743	4586.3	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, 2020, 11, 2790-2795
1557233	CIF	S8 V7	P 32 2 1	6.689; 6.689; 17.403 90; 90; 120	674.3	Bindi,; Zaccarini,; Ifandi,; Tsikouras,; Stanley,; Garuti,; Mauro, Grammatikopoulosite, NiVP, a New Phosphide from the Chromitite of the Othrys Ophiolite, Greece Minerals, 2020, 10, 131
1557234	CIF	C61 H90 Au2 Cl2 F12 N2 P2 Sb2	P 1 21/n 1	10.4398; 18.5854; 16.9617 90; 94.354; 90	3281.5	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, 2020, 11, 2750-2758
1557235	CIF	C34 H50 Au Cl2 F6 N O P Sb	P 1 21/c 1	10.9121; 17.7644; 19.509 90; 104.904; 90	3654.5	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, 2020, 11, 2750-2758
1557236	CIF	C33 H48 Au Cl2 F6 N O2 P Sb	P 1 21 1	14.8546; 12.2517; 20.5946 90; 99.848; 90	3692.9	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, 2020, 11, 2750-2758
1557237	CIF	C21 H20 N4 O5	P 1 21/c 1	15.4212; 13.4652; 9.4134 90; 102.515; 90	1908.2	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, 2020, 11, 2750-2758
1557238	CIF	C29 H36 Au B10 Cl2 F6 P2 Sb	P 1 n 1	10.0221; 13.3021; 14.7578 90; 95.633; 90	1957.94	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, 2020, 11, 2750-2758
1557239	CIF	C38 H47 Au F6 N2 O2 P Sb	P 1 21/c 1	10.7728; 11.143; 30.591 90; 98.974; 90	3627.2	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, 2020, 11, 2750-2758
1557240	CIF	C10 H16 Br4 Se	C 1 2/c 1	20.9331; 6.0827; 15.253 90; 132.9; 90	1422.72	Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I. Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes. Molecules (Basel, Switzerland), 2020, 25, 194
1557241	CIF	C10 H16 Cl4 Se	C 1 2/c 1	20.6655; 6.0655; 14.7555 90; 133.69; 90	1337.4	Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I. Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes. Molecules (Basel, Switzerland), 2020, 25, 194
1557242	CIF	C23 H19 Co N2 O7 S	P -1	9.1273; 12.0439; 12.0526 62.4993; 75.9211; 79.9212	1136.88	Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands. Molecules (Basel, Switzerland), 2020, 25, 201
1557243	CIF	C23.5 H22 Co N2 O8 S	P -1	9.2206; 11.0642; 13.345 96.611; 109.696; 103.697	1216.7	Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands. Molecules (Basel, Switzerland), 2020, 25, 201
1557252	CIF HKL Paper	C29 H23 Cl N2 O	P 1 21/n 1	9.0627; 10.7595; 24.4636 90; 100.599; 90	2344.7	Shraddha, K. N.; Devika, S.; Begum, Noor Shahina 4-Chloro-2-[1-(4-ethylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]phenol IUCrData, 2020, 5, x191690
1557253	CIF	C54 H99 Am Br3 O3 P3	P c a 21	28.768; 11.456; 18.185 90; 90; 90	5993	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, 2020, 11, 2770-2782
1557254	CIF	C54 H99 Br3 Nd O3 P3	P c a 21	28.7058; 11.4228; 18.1359 90; 90; 90	5946.8	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, 2020, 11, 2770-2782
1557255	CIF	C54 H99 Br3 Ce O3 P3	P c a 21	28.92; 11.434; 18.209 90; 90; 90	6021.2	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, 2020, 11, 2770-2782
1557256	CIF	C54 H99 Br3 La O3 P3	P c a 21	28.879; 11.4223; 18.2083 90; 90; 90	6006.3	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, 2020, 11, 2770-2782
1557257	CIF	C54 H99 Br3 O3 P3 Pr	P c a 21	28.7155; 11.4126; 18.1299 90; 90; 90	5941.5	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, 2020, 11, 2770-2782
1557262	CIF	C21 H21 F O2	P 1 21 1	6.512; 15.336; 8.7541 90; 111.502; 90	813.41	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, 2020, 11, 2759-2764
1557263	CIF	C22 H22 O2	P 21 21 21	9.5439; 10.5734; 17.3218 90; 90; 90	1747.97	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, 2020, 11, 2759-2764
1557264	CIF HKL Paper	C14 H27 F6 N O11 S2	P 1 21 1	8.8341; 24.3932; 11.6111 90; 108.086; 90	2378.47	Kitada, Atsushi; Funasako, Yusuke; Matsumoto, Kazuhiko; Hagiwara, Rika; Inokuchi, Makoto; Fukami, Kazuhiro; Murase, Kuniaki Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1) IUCrData, 2020, 5, x200162
1557268	CIF	C33 H30 Cl2 N5 O6	P -1	9.6678; 12.9865; 14.6942 64.386; 71.962; 85.754	1577.95	Martin, Flavia; Pop, Mihaela; Kacso, Irina; Grosu, Ioana Georgeta; Miclaus, Maria; Vodnar, Dan; Lung, Ildiko; Filip, Gabriela Adriana; Olteanu, Elena Diana; Moldovan, Remus; Nagy, Andras; Filip, Xenia; Baldea, Ioana Ketoconazole - p-aminobenzoic acid cocrystal: revival of an old drug by crystal engineering. Molecular pharmaceutics, 2020
1557269	CIF	C33 H30 Cl2 N5 O6	P -1	9.7532; 13.0997; 14.7094 65.035; 72.196; 84.857	1620.45	Martin, Flavia; Pop, Mihaela; Kacso, Irina; Grosu, Ioana Georgeta; Miclaus, Maria; Vodnar, Dan; Lung, Ildiko; Filip, Gabriela Adriana; Olteanu, Elena Diana; Moldovan, Remus; Nagy, Andras; Filip, Xenia; Baldea, Ioana Ketoconazole - p-aminobenzoic acid cocrystal: revival of an old drug by crystal engineering. Molecular pharmaceutics, 2020
1557270	CIF	C17 H30 Cl2 Co N3 O3 P	P 1 21/c 1	16.5582; 8.7009; 16.729 90; 111.858; 90	2236.9	Xu, Yuechao; Zhao, Junyi; Gan, Qiao; Ying, Weilun; Hu, Zhonghan; Tang, Fuming; Luo, Wanwei; Luo, Yunjie; Jian, Zhongbao; Gong, Dirong Synthesis and properties investigation of hydroxyl functionalized polyisoprene prepared by cobalt catalyzed co-polymerization of isoprene and hydroxylmyrcene Polymer Chemistry, 2020, 11, 2034-2043
1557271	CIF	C108 H154 N18 O27	P 1 21 1	13.959; 25.347; 18.606 90; 109.574; 90	6202.7	Zhou, Bin; Shetye, Gauri; Yu, Yang; Santarsiero, Bernard D.; Klein, Larry L.; Abad-Zapatero, Cele; Wolf, Nina M.; Cheng, Jinhua; Jin, Yingyu; Lee, Hanki; Suh, Joo-Won; Lee, Hyun; Bisson, Jonathan; McAlpine, James B.; Chen, Shao-Nong; Cho, Sang-Hyun; Franzblau, Scott G.; Pauli, Guido F. Antimycobacterial Rufomycin Analogues from <i>Streptomyces atratus</i> Strain MJM3502. Journal of natural products, 2020
1557272	CIF	C35 H40 O12	P 1	8.505; 9.1711; 10.7701 100.159; 99.818; 90.932	813.86	Fu, Yifan; Zhao, Weimin Polyesterified Sesquiterpenoids from the Seeds of <i>Celastrus paniculatus</i> as Lifespan-Extending Agents for the Nematode <i>Caenorhabditis elegans</i>. Journal of natural products, 2020, 83, 505-515
1557278	CIF	C55 H68 D3 Eu N2 O6	P 1 21/c 1	12.3206; 27.4776; 17.5732 90; 104.527; 90	5759	Fishman, Natalya N.; Lukzen, Nikita N.; Ivanov, Konstantin L.; Edeleva, Mariya V.; Fokin, Sergey V.; Romanenko, Galina V.; Ovcharenko, Victor I. Multifrequency NMR as an Efficient Tool to Investigate Heterospin Complexes in Solutions. The journal of physical chemistry. A, 2020
1557279	CIF	C24 H20 Dy N9 O9	P 1 21/n 1	16.4862; 10.4198; 18.1346 90; 111.576; 90	2896.9	Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents Langmuir, 2020
1557280	CIF	C27 H29 Dy N10 O6 S	P 1 21/n 1	12.249; 10.064; 26.264 90; 90.684; 90	3237	Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents Langmuir, 2020
1557281	CIF	C24 H16.5 Eu N9 O9	P 1 21/n 1	16.8934; 10.4286; 17.9567 90; 110.828; 90	2956.8	Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents Langmuir, 2020
1557282	CIF	C24 H21 N9 O9 Tb	P 1 21/n 1	16.6874; 10.4401; 18.036 90; 111.134; 90	2930.9	Wang, Hui-Feng; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zou, Hua-Hong; Liang, Fu-Pei Regulation of the Metal Center and Coordinating Anion of Mononuclear Ln(III) Complexes to Promote an Efficient Luminescence Response to Various Organic Solvents Langmuir, 2020
1557283	CIF	C25 H30 N4 O3	P -1	6.6601; 7.4588; 23.5097 94.931; 90.774; 105.499	1120.43	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, 2020, 11, 3152-3163
1557284	CIF	C60 H44 Mn4 N12 O52 Si W12	C 1 2/c 1	24.8686; 23.1581; 17.7369 90; 98.907; 90	10091.7	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, 2020, 11, 3007-3015
1557285	CIF	C49 H39 Mn3 Mo12 N11 O49 P	P -1	13.034; 15.6737; 20.2719 79.875; 88.908; 87.011	4071.1	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, 2020, 11, 3007-3015
1557286	CIF	C49 H39 Mn3 N11 O49 P W12	P -1	13.0328; 15.6142; 20.1424 79.88; 89.029; 86.775	4028.6	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, 2020, 11, 3007-3015
1557287	CIF	C25 H22 N2 O3	P 1 21 1	9.0919; 9.9836; 11.7719 90; 95.822; 90	1063.02	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, 2020, 11, 2888-2894
1557288	CIF	C25 H22 N2 O3	P 1 21/n 1	9.6576; 13.2796; 17.3578 90; 99.745; 90	2194	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, 2020, 11, 2888-2894
1557289	CIF	C25 H22 N2 O3	P -1	7.8691; 9.8641; 13.184 87.285; 85.531; 74.852	984.41	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, 2020, 11, 2888-2894
1557290	CIF	C2 H Cl N4	P b c a	11.2724; 6.279; 12.5272 90; 90; 90	886.67	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, 2020, 11, 3042-3047
1557291	CIF	C8 H6 N4 O	P 1 21/c 1	10.7358; 5.14454; 14.9437 90; 105.056; 90	797.02	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, 2020, 11, 3042-3047
1557292	CIF	C10 H7 N5	F d d 2	38.7645; 11.93147; 7.70847 90; 90; 90	3565.3	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, 2020, 11, 3042-3047
1557293	CIF	C9 H9 N7 O2 S2	C 1 2/c 1	17.7417; 6.22991; 23.2377 90; 93.9389; 90	2562.38	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, 2020, 11, 3042-3047
1557294	CIF	C2 H Br N4	P b c a	12.7468; 5.60166; 12.9507 90; 90; 90	924.72	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, 2020, 11, 3042-3047
1557295	CIF	C17 H21 N5 O5	C 1 2 1	32.663; 5.161; 11.0162 90; 94.704; 90	1850.79	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, 2020, 11, 3042-3047
1557296	CIF	C22 H39 Al Ge Si2	P 1 21/n 1	9.6414; 13.3432; 19.6279 90; 95.4683; 90	2513.6	Albers, Lena; Tholen, Patrik; Schmidtmann, Marc; Müller, Thomas A germaaluminocene Chemical Science, 2020, 11, 2982-2986
1557297	CIF	C23 H19 N3 O5	P 1 21 1	11.2231; 8.1552; 11.9835 90; 115.45; 90	990.4	Warghude, Prakash K.; Sabale, Abhijeet S.; Bhat, Ramakrishna G. Access to highly enantioselective and diastereoselective spirooxindole dihydrofuran fused pyrazolones. Organic & biomolecular chemistry, 2020, 18, 1794-1799
1557298	CIF	C6 H12 O6	P 21 21 21	7.7012; 7.7746; 12.6751 90; 90; 90	758.91	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, 2020, 11, 2926-2933
1557299	CIF	C5 H12 O4	I -4	6.0826; 6.0826; 8.792 90; 90; 90	325.29	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, 2020, 11, 2926-2933
1557300	CIF	C5 H10 O5	P 21 21 21	5.6107; 9.1858; 12.5998 90; 90; 90	649.38	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, 2020, 11, 2926-2933
1557301	CIF	C6 H12 O6	P 21 21 21	8.091; 9.212; 10.056 90; 90; 90	749.5	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, 2020, 11, 2926-2933
1557302	CIF HKL Paper	C20 H18 N4 O2	P b c a	8.7438; 18.7561; 20.8005 90; 90; 90	3411.27	Powell, Gregory L.; Rix, Brad A. 5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one IUCrData, 2020, 5, x200121
1557303	CIF HKL Paper	C5 H20 Cs2 Mg4 O25	P 1 21/n 1	9.1617; 19.233; 13.0065 90; 91.136; 90	2291.4	Rincke, Christine; Schmidt, Horst; Voigt, Wolfgang Dicaesium tetramagnesium pentakis(carbonate) decahydrate, Cs2Mg4(CO3)5·10H2O IUCrData, 2020, 5
1557304	CIF HKL Paper	C11 H10 N2 O2 S2	P 1 21 1	4.1658; 10.4706; 12.7624 90; 95.958; 90	553.67	Siegel, David J.; Howarth, Alexis N.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan 2,2'-[Methylenebis(sulfanediyl)]bis(pyridine 1-oxide) IUCrData, 2020, 5, x200171
1557305	CIF HKL Paper	C21 H20 Br N O4 S	P 41	11.076; 11.076; 16.478 90; 90; 90	2021.5	Soundararajan, Krishnan; Sethuraman, Velusamy; Thanigaimani, Kaliyaperumal (3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate IUCrData, 2020, 5, x200143
1557306	CIF HKL Paper	C21 H39 N S2	P 1 21 1	5.5457; 9.1108; 43.511 90; 90.376; 90	2198.4	Muller II, Joseph E.; Osborn, Laura R.; Traver, Joseph R.; Hillesheim, Patrick C.; Zeller, Matthias; Mirjafari, Arsalan 2-(Octadecylsulfanyl)-1,3-thiazole IUCrData, 2020, 5, x200170
1557311	CIF	C12 H13 Cl5 O2	P 1 21/c 1	18.071; 9.5329; 17.7642 90; 99.613; 90	3017.25	Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan Sigillins from Springtails Are Potent Natural Insecticides. Journal of natural products, 2020, 83, 468-472
1557312	CIF	C12 H14 Cl6 O5	P 41	8.98338; 8.98338; 20.8299 90; 90; 90	1681	Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan Sigillins from Springtails Are Potent Natural Insecticides. Journal of natural products, 2020, 83, 468-472
1557313	CIF	C30 H44 O5	P 21 21 21	10.5518; 16.1297; 17.0893 90; 90; 90	2908.55	Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel. Journal of medicinal chemistry, 2020
1557314	CIF	C33 H40 O4	P 21 21 21	9.4737; 15.6173; 18.4421 90; 90; 90	2728.58	Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel. Journal of medicinal chemistry, 2020
1557315	CIF	C6 H12 F N0.5 Na0.5 O5 S2.5	I 1 2/a 1	11.9451; 11.9286; 16.2807 90; 101.179; 90	2275.79	Okamoto, Yukihiro; Tsuzuki, Seiji; Tatara, Ryoichi; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi High Transference Number of Na Ion in Liquid-State Sulfolane Solvates of Sodium Bis(fluorosulfonyl)amide The Journal of Physical Chemistry C, 2020
1557320	CIF Paper	C16 H9 N3 O2 S2	P 1 21 1	9.6598; 7.4249; 11.2457 90; 109.745; 90	759.15	de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy 5-Nitro-2,3-bis(thiophen-2-yl)quinoxaline IUCrData, 2020, 5, x200196
1557321	CIF HKL Paper	C16 H9 N3 O2 S2	P 1 21/c 1	11.7649; 5.3386; 24.3536 90; 105.61; 90	1473.18	de Freitas, Jorge F.; Brown, Shayne; Oberndorfer, James S.; Crundwell, Guy 6-Nitro-2,3-bis(thiophen-2-yl)quinoxaline IUCrData, 2020, 5, x200203
1557327	CIF	C16 H16 Cu N2 O6	P 1 21/n 1	8.4484; 4.8581; 18.7404 90; 94.79; 90	766.48	Smellie, Iain A.; Abdelhamid, Yusra; Carpenter-Warren, Cameron L.; Cordes, David B.; Elliott, Clement; Lamorte, Sarah; Patterson, Iain L. J.; Sanders, William; Sandison, Iain P.; Slawin, Alexandra M. Z.; Stewart, Dominic M.; Walters, Samuel N. A Simplified Extractive Metallurgy Exercise to Demonstrate Selective Extraction of Copper Journal of Chemical Education, 2020
1557328	CIF	C15 H16 N2 O4	P 1 21 1	6.9821; 8.6527; 11.9259 90; 105.761; 90	693.4	Benedetti, Françoise; Perrin, Marc-Antoine; Bosc, Sebastien; Chouteau, Franck; Champion, Nicolas; Bigot, Antony Total Synthesis of (+)-Oxo-tomaymycin Organic Process Research & Development, 2020
1557329	CIF	C37 H40 Al Cl2 N4 O5	P -1	10.6552; 12.4511; 14.8269 100.087; 96.082; 90.524	1925	Luke, Anna M.; Peterson, Appie; Chiniforoush, Sina; Mandal, Mukunda; Popowski, Yanay; Sajjad, Hussnain; Bouchey, Caitlin J.; Shopov, Dimitar Y.; Graziano, Brendan J.; Yao, Letitia J.; Cramer, Christopher J.; Reineke, Theresa M.; Tolman, William B. Mechanism of Initiation Stereocontrol in Polymerization of rac-Lactide by Aluminum Complexes Supported by Indolide‒Imine Ligands Macromolecules, 2020
1557330	CIF	C33.5 H33 Al N4 O	P 1 21/c 1	12.393; 20.309; 11.565 90; 104.827; 90	2813.9	Luke, Anna M.; Peterson, Appie; Chiniforoush, Sina; Mandal, Mukunda; Popowski, Yanay; Sajjad, Hussnain; Bouchey, Caitlin J.; Shopov, Dimitar Y.; Graziano, Brendan J.; Yao, Letitia J.; Cramer, Christopher J.; Reineke, Theresa M.; Tolman, William B. Mechanism of Initiation Stereocontrol in Polymerization of rac-Lactide by Aluminum Complexes Supported by Indolide‒Imine Ligands Macromolecules, 2020
1557331	CIF	C203.82 H244.63 Cl7.63 N0 O40	P -1	11.5721; 16.6408; 26.1539 84.725; 81.758; 89.936	4962.9	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, 2020, 11, 2614-2620
1557332	CIF	C112.95 H130.95 Cl15.56 O28	P 1	14.334; 15.534; 16.891 69.752; 70.947; 76.995	3308.6	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, 2020, 11, 2614-2620
1557333	CIF	C106 H124 Cl6 O20	P 1 21/n 1	19.6983; 20.2034; 26.3162 90; 97.77; 90	10377	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, 2020, 11, 2614-2620
1557334	CIF	C108.36 H122.64 Cl2.26 O20	P 1 21/c 1	21.532; 19.643; 25.299 90; 90.699; 90	10699	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, 2020, 11, 2614-2620
1557335	CIF	C116.82 H140.82 Cl8.45 O28	P -1	14.4911; 17.0462; 27.359 72.867; 86.978; 77.872	6313.8	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, 2020, 11, 2614-2620
1557336	CIF	C76 H74 O11	P -1	13.0381; 16.6752; 17.4483 61.711; 79.037; 74.295	3207.14	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, 2020, 11, 2614-2620
1557337	CIF	C226.36 H257.54 O43.98	P 1 21/c 1	21.154; 19.669; 25.429 90; 90.27; 90	10580	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, 2020, 11, 2614-2620
1557338	CIF	C31 H53 B Eu N5 O17	P 1 21/n 1	13.2696; 15.8873; 18.2435 90; 93.3; 90	3839.7	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, 2020, 11, 3164-3170
1557341	CIF	C15 H21 Cl0 N O2	P 21 21 21	8.5161; 10.575; 15.9557 90; 90; 90	1436.93	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, 2020, 11, 3068-3073
1557342	CIF	C22 H14 O	P 1 21 1	6.5602; 14.7939; 14.8216 90; 91.727; 90	1437.8	Huang, Yue-E; Wang, Xing-Zhi; Hu, Peng; Qi, Xing-Hui; Huang, Xiao-Ying; Kloc, Christian; Wu, Xiaohui; Du, Ke-Zhao Single-photon upconversion in 6-pentaceneone crystal from bulk to ultrathin flakes. Nanoscale, 2020, 12, 6227-6232
1557352	CIF	C30 H44 O8	C 1 2 1	37.059; 6.5105; 12.0031 90; 104.561; 90	2803	Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum. Journal of agricultural and food chemistry, 2020
1557353	CIF	C30 H44 O7	P 21 21 21	8.7074; 11.7878; 26.4646 90; 90; 90	2716.36	Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum. Journal of agricultural and food chemistry, 2020
1557354	CIF	C35 H37 Cl2 N O P2 Ru S	P 1 21/c 1	12.599; 9.671; 27.353 90; 98.957; 90	3292.2	Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020
1557355	CIF	C41 H41 Cl2 N O P2 Ru S	P 1 21/n 1	17.8808; 10.6576; 19.6658 90; 96.36; 90	3724.6	Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020
1557356	CIF	C38 H43 Cl2 N O P2 Ru S	P 1 21/c 1	11.84; 31.81; 10.563 90; 111.468; 90	3702	Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020
1557357	CIF	C40 H39 Cl2 N O P2 Ru S	P b c a	10.2315; 22.51; 31.197 90; 90; 90	7185	Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020
1557358	CIF	C36 H39 Cl4 N P2 Ru S	P -1	10.4094; 13.855; 13.8759 72.843; 74.273; 73.643	1795.8	Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020
1557359	CIF	C38 H43 Cl2 N P2 Ru S	P 1 21/c 1	10.1683; 17.5052; 20.3353 90; 100.513; 90	3558.9	Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020
1557360	CIF	C8 H14 N2 O4	P 1 21/c 1	5.6483; 9.0345; 9.1851 90; 103.599; 90	455.57	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, 2020, 11, 2951-2966
1557361	CIF	C30 H28 Cl2 F17 N3 O3 Pt	P -1	7.4767; 11.673; 21.5145 96.026; 90.715; 98.636	1845.38	Kolari, Kalle; Bulatov, Evgeny; Tatikonda, Rajendhraprasad; Bertula, Kia; Kalenius, Elina; Nonappa, ?; Haukka, Matti Self-healing, luminescent metallogelation driven by synergistic metallophilic and fluorine-fluorine interactions. Soft matter, 2020, 16, 2795-2802
1557362	CIF	C33 H53 Cl2 N3 O4 Pt	P -1	7.4212; 12.1297; 20.0591 82.046; 86.277; 85.498	1780.09	Kolari, Kalle; Bulatov, Evgeny; Tatikonda, Rajendhraprasad; Bertula, Kia; Kalenius, Elina; Nonappa, ?; Haukka, Matti Self-healing, luminescent metallogelation driven by synergistic metallophilic and fluorine-fluorine interactions. Soft matter, 2020, 16, 2795-2802
1557368	CIF HKL Paper	C24 H20 O2	P 1 21/n 1	21.55; 6.0366; 27.4915 90; 92.111; 90	3573.9	Manickam, R.; Jagadeesan, G.; Karunakaran, J.; Srinivasan, G. 1,4-Bis(4-methoxyphenyl)naphthalene IUCrData, 2020, 5, x200212
1557369	CIF HKL Paper	C13 H16 N2 O3 S	P 1 21/n 1	14.6392; 5.7111; 17.5295 90; 102.349; 90	1431.66	Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R. 2-Aminoanilinium 4-methylbenzenesulfonate IUCrData, 2020, 5, x200230
1557370	CIF HKL Paper	C26 H34 O4 Si2	P 1 21/c 1	10.2628; 20.5653; 13.3923 90; 111.638; 90	2627.4	Weil, Matthias; Kremsmayr, Thomas; Mihovilovic, Marko D. 6-[(<i>tert</i>-Butyldimethylsilyl)oxy]-3-ethenyl-7-methoxy-4-[(trimethylsilyl)ethynyl]naphtho[2,3-<i>c</i>]furan-1(3<i>H</i>)-one IUCrData, 2020, 5, x200224
1557371	CIF	C27 H19 N O3	P 1	7.1378; 9.8466; 14.7942 88.9786; 79.0044; 74.6213	983.56	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, 2020, 11, 3790-3796
1557372	CIF	C20 H12 S	P b c n	21.4461; 8.4399; 7.3436 90; 90; 90	1329.21	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, 2020, 11, 3418-3426
1557373	CIF	C48 H36 N2 O4 S	P -1	9.2973; 11.5371; 17.8524 99.629; 101.049; 97.562	1826.25	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, 2020, 11, 3418-3426
1557374	CIF	C97 H78 Cl2 N4 O8 S2	P -1	10.5796; 13.7266; 14.368 85.956; 83.941; 82.064	2051.7	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, 2020, 11, 3418-3426
1557375	CIF	C17 H26 O5	P 1 21 1	9.8562; 7.7464; 10.34 90; 91.055; 90	789.33	Fu, Yifan; Ding, Xiaoyu; Zhang, Xianglei; Shao, Xingcheng; Zhao, Jihui; Xu, Yechun; Luo, Xiaomin; Zhao, Weimin Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity Journal of Natural Products, 2020
1557376	CIF	C22 H14 Au2 Fe N6	P 1 21/c 1	10.8116; 14.4381; 14.9803 90; 96.596; 90	2322.93	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, 2020, 11, 3281-3289
1557377	CIF	C22 H14 Au2 Fe N6	P 1 21/c 1	10.7397; 14.1109; 14.679 90; 95.98; 90	2212.5	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, 2020, 11, 3281-3289
1557378	CIF	C22 H14 Au2 Fe N6	P 1 21/c 1	10.7739; 13.9861; 14.5762 90; 95.77; 90	2185.28	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, 2020, 11, 3281-3289
1557379	CIF	C22 H14 Au2 Fe N6	P -1	10.7701; 14.1621; 14.7425 90.082; 96.077; 90.471	2235.9	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, 2020, 11, 3281-3289
1557380	CIF	C60 H56 B2 F8 N2 O8	P 1 n 1	12.5252; 16.8071; 12.9207 90; 90.786; 90	2719.7	Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts Chemical Science, 2020, 11, 3192-3197
1557381	CIF	C23 H23 N O2	P 1 21/c 1	9.3351; 20.6304; 9.7275 90; 105.289; 90	1807.1	Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts Chemical Science, 2020, 11, 3192-3197
1557382	CIF	C33 H28 B F4 N O2	P 1 21/n 1	11.0604; 16.678; 15.1704 90; 100.639; 90	2750.3	Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts Chemical Science, 2020, 11, 3192-3197
1557383	CIF	C20 H21 N O4	P 1 21/c 1	9.2314; 19.6394; 19.9121 90; 93.605; 90	3602.9	Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts Chemical Science, 2020, 11, 3192-3197
1557384	CIF	C17 H18 F2 O2 S	P 1 21/c 1	8.497; 13.357; 13.775 90; 85.689; 90	1559	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, 2020, 11, 3048-3053
1557385	CIF	C33 H29 Cl F4 O4 S2	P -1	10.2309; 13.2445; 13.5012 66.799; 70.33; 75.627	1569.19	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, 2020, 11, 3048-3053
1557386	CIF	C23 H12 Br F6 N	C 1 2/c 1	15.327; 9.854; 28.274 90; 104.113; 90	4141.4	Jyothi, Mane; Annadhasan, Mari; Vinay Pradeep, Vuppu; Chandrasekar, Rajadurai Direct micro-scale monitoring of molecular aggregation, its growth and diffusion via aggregation-induced emission. Soft matter, 2020, 16, 2664-2668
1557387	CIF	C28 H20 N2 O6 Zn	P 1 2/n 1	14.2399; 7.5126; 14.7479 90; 101.619; 90	1545.38	Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J. Disappeared supramolecular isomer reappears with perylene guest IUCrJ, 2020, 7, 324-330
1557388	CIF	C56 H40 N4 O12 Zn2	P 1 2/c 1	20.1826; 18.7307; 17.1854 90; 91.583; 90	6494.2	Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J. Disappeared supramolecular isomer reappears with perylene guest IUCrJ, 2020, 7, 324-330
1557389	CIF	C38 H26 N2 O6 Zn	C 1 2/c 1	28.18; 14.88; 18.158 90; 124.421; 90	6280.8	Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J. Disappeared supramolecular isomer reappears with perylene guest IUCrJ, 2020, 7, 324-330
1557394	CIF	C16 H14 O2	P 1 21 1	6.2309; 7.4169; 13.0054 90; 90.1686; 90	601.03	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, 2020, 11, 3146-3151
1557395	CIF	C102 H68 N18 O27 Zn8	R -3 :H	22.979; 22.979; 15.496 90; 90; 120	7086	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, 2020, 11, 3345-3354
1557396	CIF	C30 H26 B Br	P 1 21/c 1	16.2062; 8.1904; 17.137 90; 91.218; 90	2274.2	Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267
1557397	CIF	C36 H36 B Br	P -1	8.4803; 9.1672; 19.9099 80.254; 85.195; 68.593	1419.82	Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267
1557398	CIF	C22 H26 B Br O2	P 1 21/n 1	6.4265; 15.8695; 20.617 90; 97.511; 90	2084.6	Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267
1557399	CIF	C62 H78 B2 Br2	P -1	9.4752; 9.8107; 15.1088 93.579; 100.145; 90.47	1379.57	Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267
1557400	CIF	C22 H26 B Br O2	P c a 21	20.7096; 6.4384; 15.5735 90; 90; 90	2076.52	Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267
1557401	CIF	C14 H10 B Br3	P 1 21/n 1	13.2781; 5.936; 18.4485 90; 100.58; 90	1429.37	Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267
1557402	CIF	C44 H42 B2 Br2 O2	P c c n	42.071; 29.3977; 6.6541 90; 90; 90	8229.7	Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J. The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies Chemical Science, 2020, 11, 3258-3267