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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
1557403	CIF	C28 H22 B Br O	P 1 21/c 1	16.0697; 19.1015; 7.184 90; 99.697; 90	2173.7	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
1557404	CIF	C100 H108 B4 Br4	P -1	8.0182; 16.5443; 17.4491 64.933; 86.117; 77.027	2042.2	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
1557405	CIF	C62 H56 B2 Br2	P -1	9.836; 10.894; 14.514 82.02; 73.02; 71.06	1405.2	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
1557406	CIF	C64 H68 B2 Br2	P -1	13.45; 14.624; 15.214 91.36; 92.15; 116.43	2675.1	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
1557407	CIF	C45.5 H56 N2 O2 Zn	P -1	9.7165; 13.0789; 16.8043 76.357; 79.83; 85.53	2041.18	Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D. Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method Polymer Chemistry, 2020, 11, 2381-2389
1557408	CIF	C30 H30 N2 O2 Zn2	P 1 21/c 1	9.4634; 12.7656; 11.441 90; 105.049; 90	1334.74	Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D. Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method Polymer Chemistry, 2020, 11, 2381-2389
1557409	CIF	C26 H20 N2 O2 Zn	P -1	9.4398; 10.7434; 12.1939 67.141; 68.745; 77.707	1058.27	Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D. Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method Polymer Chemistry, 2020, 11, 2381-2389
1557410	CIF	C30 H26 Cl4 N2 O2 Zn2	P 1 21/n 1	8.3728; 13.2623; 13.5714 90; 97.625; 90	1493.68	Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D. Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method Polymer Chemistry, 2020, 11, 2381-2389
1557411	CIF	C33 H24 Cl4 N2 O2 Zn	P -1	11.4229; 11.7375; 13.3309 65.684; 83.729; 66.409	1489.37	Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D. Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method Polymer Chemistry, 2020, 11, 2381-2389
1557412	CIF	C46 H62 N2 O2 Zn2	P 1 21/c 1	25.1264; 18.5514; 18.1043 90; 90.301; 90	8438.8	Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D. Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method Polymer Chemistry, 2020, 11, 2381-2389
1557413	CIF HKL Paper	C11 H14 N2 O4	P 1 21/c 1	13.949; 4.9891; 17.3647 90; 105.693; 90	1163.42	Doboszewski, Bogdan; Nazarenko, Alexander Y.; Soares, Fábio da Paixão 1,3-Bis(2-oxopropyl)thymine IUCrData, 2020, 5, x200257
1557414	CIF HKL Paper	C25 H19 N O7	P 1 21/c 1	14.7455; 11.9504; 11.9649 90; 101.898; 90	2063.1	Lough, Alan J.; Ho, Angel; Tam, William [(1<i>R</i>*,3<i>S</i>*,4<i>S</i>*)-3-(2-Hydroxybenzoyl)-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-1-yl]methyl 4-nitrobenzoate IUCrData, 2020, 5, x200265
1557424	CIF	C19 H33 Cl F N O10	P 1 21 1	10.4391; 11.8365; 10.5951 90; 116.601; 90	1170.6	Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions The Journal of Physical Chemistry C, 2020
1557425	CIF	C19 H33 Cl2 N O11	C m c 21	11.2828; 17.8489; 12.4059 90; 90; 90	2498.4	Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions The Journal of Physical Chemistry C, 2020
1557426	CIF	C19 H33 Cl F N O11	C m c 21	11.1097; 18.09; 12.2804 90; 90; 90	2468	Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions The Journal of Physical Chemistry C, 2020
1557427	CIF	C19 H33 Cl2 N O10	P c a 21	17.5144; 22.5809; 11.9905 90; 90; 90	4742.13	Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions The Journal of Physical Chemistry C, 2020
1557428	CIF	C33 H27 N2 O2 P	P -1	10.6898; 11.775; 11.9913 71.708; 65.4407; 89.239	1291.4	Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress Chemical Science, 2020, 11, 3405-3417
1557429	CIF	C33 H27 N2 O2 P	P -1	9.1957; 10.841; 13.3381 100.85; 100.343; 93.057	1279.46	Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress Chemical Science, 2020, 11, 3405-3417
1557430	CIF	C228 H104 B4 Cl4 F96 N12 O2 Pd2	C 1 2/c 1	40.6116; 14.3027; 43.1791 90; 108.163; 90	23831.1	Martí-Centelles, Vicente; Spicer, Rebecca L.; Lusby, Paul J. Non-covalent allosteric regulation of capsule catalysis Chemical Science, 2020, 11, 3236-3240
1557435	CIF	C20 H19 B N2 O5	P 1 21/c 1	9.8085; 8.9262; 21.7277 90; 99.222; 90	1877.73	Williams, Alexander F.; White, Andrew J. P.; Spivey, Alan C.; Cordier, Christopher J. meta-Selective C‒H functionalisation of aryl boronic acids directed by a MIDA-derived boronate ester Chemical Science, 2020, 11, 3301-3306
1557436	CIF HKL Paper	C30 H46 Br4 Mn N4	P b c a	18.02; 18.742; 19.74 90; 90; 90	6666.8	Giltzau, Niels Ole; Köckerling, Martin Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II) IUCrData, 2020, 5
1557437	CIF	C172 H168 Ca F21 N24 O30 Rh6 S7	P 63	23.302; 23.302; 21.347 90; 90; 120	10038	Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232
1557438	CIF	C333 H250 F35 K2 N99 O100 Rh12 S7	P -1	22.5096; 25.221; 39.36 72.977; 89.886; 76.76	20747	Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232
1557439	CIF	C170 H185 F24 N24 O34.5 Rh6 S8 Sr	P 63	22.673; 22.673; 20.482 90; 90; 120	9118	Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232
1557440	CIF	C173 H189 F24 N24 O37.5 Rh6 S8 Sr	P 63	22.564; 22.564; 20.375 90; 90; 120	8984	Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232
1557441	CIF	C190 H252 Ba2 F30 N24 O60 Rh6 S14	C 1 2/c 1	72.911; 20.9282; 33.246 90; 106.419; 90	48661	Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin s-Block metal ions induce structural transformations between figure-eight and double trefoil knots Chemical Science, 2020, 11, 1226-1232
1557442	CIF	C16 H20 N2 Ni O2	P 1 21/n 1	14.557; 10.2366; 8.2137 90; 141.27; 90	765.8	Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W. Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex. Chemical science, 2020, 11, 1683-1690
1557443	CIF	C20 H28 N2 Ni O6	P 1 21/n 1	8.3939; 14.9329; 8.7611 90; 108.791; 90	1039.63	Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W. Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex. Chemical science, 2020, 11, 1683-1690
1557444	CIF	C31 H35 F6 N5 Ni O2 P	I 1 2/a 1	22.4997; 8.4913; 17.7726 90; 111.646; 90	3156	Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W. Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex. Chemical science, 2020, 11, 1683-1690
1557445	CIF	C14 H8 S2	P -1	5.8903; 7.8065; 11.6922 90.458; 101.223; 93.037	526.52	Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo “Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking Chemical Science, 2020, 11, 1573-1580
1557446	CIF	C20 H14 S4	P 1 21/c 1	7.45474; 16.2651; 6.76866 90; 90.98; 90	820.59	Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo “Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking Chemical Science, 2020, 11, 1573-1580
1557447	CIF	C16 H12 S4	P 1 21/c 1	7.6311; 17.4783; 5.2771 90; 91.18; 90	703.7	Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo “Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking Chemical Science, 2020, 11, 1573-1580
1557448	CIF	C26 H26	P 1 21 1	9.423; 10.032; 11.391 90; 104.61; 90	1042	Lei, Guangyue; Zhang, Hanwen; Chen, Bin; Xu, Meichen; Zhang, Guozhu Copper-catalyzed enantioselective arylalkynylation of alkenes. Chemical science, 2020, 11, 1623-1628
1557449	CIF	C55 H72 Cl F3 N3 O3 P S	P -1	11.0592; 12.9006; 18.7834 98.063; 91.131; 103.315	2578.25	Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984
1557450	CIF	C59 H80 Cl15 Ga3 N3 P	P 1 21/c 1	19.16275; 13.46701; 28.2924 90; 94.584; 90	7277.92	Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984
1557451	CIF	C57 H76 N3 P	P 1 21/c 1	18.56527; 11.96597; 22.85445 90; 101.614; 90	4973.19	Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984
1557452	CIF	C54 H72 Cl8 Ga2 N3 P	P b c a	24.13916; 18.9021; 26.08922 90; 90; 90	11904	Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984
1557453	CIF	C54 H72 Cl4 Ga N3 P	P 1 21/c 1	11.5123; 12.8811; 37.2397 90; 97.724; 90	5472.21	Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984
1557454	CIF	C54 H72 N3 P	P 1 21/n 1	12.5627; 15.9337; 23.6169 90; 93.554; 90	4718.31	Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984
1557455	CIF	C115 H154 Cl10 Ga2 N6 P2	C 1 2/c 1	40.7612; 12.3237; 23.4798 90; 101.398; 90	11562	Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984
1557456	CIF	C46 H88 Ag2 Li4 N6 O2	P -1	8.3861; 11.5994; 14.05 86.881; 79.282; 83.876	1334.35	Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu Lipshutz-type bis(amido)argentates for directed ortho argentation Chemical Science, 2020, 11, 1855-1861
1557457	CIF	C36 H72 Ag2 Li2 N4	C 1 2/c 1	22.1326; 8.3936; 22.8868 90; 109.561; 90	4006.34	Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu Lipshutz-type bis(amido)argentates for directed ortho argentation Chemical Science, 2020, 11, 1855-1861
1557458	CIF	C42 H56 Ag Li N2 O3	P 1 21/n 1	12.4986; 14.8962; 21.7554 90; 93.742; 90	4041.82	Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu Lipshutz-type bis(amido)argentates for directed ortho argentation Chemical Science, 2020, 11, 1855-1861
1557459	CIF	C56 H84 Ag2 Li2 N4 O2	P 1 21/c 1	13.3743; 18.2477; 22.9463 90; 103.316; 90	5449.49	Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu Lipshutz-type bis(amido)argentates for directed ortho argentation Chemical Science, 2020, 11, 1855-1861
1557465	CIF	C32 H20	P 1 21/c 1	6.1391; 15.1547; 11.9272 90; 94.63; 90	1106.04	Ma, Xiaoshuang; Tang, Zhenghua; Qin, Lubing; Peng, Jin; Li, Ligui; Chen, Shaowei Unravelling the formation mechanism of alkynyl protected gold clusters: a case study of phenylacetylene stabilized Au<sub>144</sub> molecules. Nanoscale, 2020, 12, 2980-2986
1557466	CIF	C48 H16 Co3 O24	I -4 2 d	28.0519; 28.0519; 9.7811 90; 90; 90	7696.8	Zhao, Juanjuan; Hu, Haibo; Wu, Mingzai N-Doped-carbon/cobalt-nanoparticle/N-doped-carbon multi-layer sandwich nanohybrids derived from cobalt MOFs having 3D molecular structures as bifunctional electrocatalysts for on-chip solid-state Zn-air batteries. Nanoscale, 2020, 12, 3750-3762
1557467	CIF	C61 H79 Cl N2 Pd	P 1	10.9521; 12.1033; 12.578 115.914; 92.683; 110.251	1367.6	Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species Polymer Chemistry, 2020, 11, 1393-1400
1557468	CIF	C60 H76 Br2 N2 Ni	P 1 21/n 1	16.631; 15.673; 22.5127 90; 99.756; 90	5783.2	Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species Polymer Chemistry, 2020, 11, 1393-1400
1557469	CIF	Cr H28 Na3 O22	P -1	7.5349; 8.6378; 8.9921 64.087; 81.565; 69.348	492.56	MIKURIYA, Masahiro; HIROSHIMA, Shuichi; KOYAMA, Yoshiki; TERADA, Keisuke; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji Preparation and Crystal Structure of Sodium Tetraperoxidochromate(V) X-ray Structure Analysis Online, 2020, 36, 3-5
1557471	CIF	C10 H20 Cl6 Cu3 N16 O2 S4	P 1 21/n 1	6.6586; 12.8635; 17.4187 90; 99.657; 90	1470.8	Gómez-Paz,; Carballo,; Lago,; Vázquez-López, Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands Chemistry, 2020, 2, 33-49
1557472	CIF	C18 H32 Cl6 Cu3 N20 O2 S4	P -1	6.7181; 12.9961; 12.9971 64.067; 79.492; 82.134	1001.29	Gómez-Paz,; Carballo,; Lago,; Vázquez-López, Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands Chemistry, 2020, 2, 33-49
1557473	CIF	C12 H20 Cl4 Cu4 N16 S4	P 1 21/n 1	10.1237; 9.5414; 14.4784 90; 93.65; 90	1395.69	Gómez-Paz,; Carballo,; Lago,; Vázquez-López, Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands Chemistry, 2020, 2, 33-49
1557474	CIF	C3 H5 Cl2 Cu N4 S	C 1 2/c 1	20.3164; 6.5444; 12.8543 90; 109.493; 90	1611.1	Gómez-Paz,; Carballo,; Lago,; Vázquez-López, Metallosupramolecular Compounds Based on Copper(II/I) Chloride and Two Bis-Tetrazole Organosulfur Ligands Chemistry, 2020, 2, 33-49
1557475	CIF	C16 H22 N2 O9 Rh2	P 1 21/c 1	8.1042; 14.3559; 17.696 90; 103.077; 90	2005.4	Arakawa, Kazuki; Yano, Natsumi; Imasaki, Nanako; Kohara, Yoshihiro; Yatsushiro, Daiki; Atarashi, Daiki; Handa, Makoto; Kataoka, Yusuke Coordination-Induced Self-Assembly of a Heteroleptic Paddlewheel-Type Dirhodium Complex Crystals, 2020, 10, 85
1557476	CIF	C36 H46 Cl2 N3 Ru	P 1 21/n 1	13.6977; 11.9911; 21.2056 90; 96.908; 90	3457.75	Sivanesan, Dharmalingam; Seo, Bongkuk; Lim, Choong-Sun; Choi, Dongchen; Kim, Taehee; Kim, Hyeon-Gook An additional potential donor-bearing alkylidene-containing latent NHC‒ruthenium-based catalyst for olefin metathesis polymerization Polymer Chemistry, 2020, 11, 2511-2518
1557477	CIF	N4 V4	F m -3 m	4.1328; 4.1328; 4.1328 90; 90; 90	70.588	Sharygin, Victor V.; Ripp, German S.; Yakovlev, Grigoriy A.; Seryotkin, Yurii V.; Karmanov, Nikolai S.; Izbrodin, Ivan A.; Grokhovsky, Victor I.; Khromova, Elena A. Uakitite, VN, a New Mononitride Mineral from Uakit Iron Meteorite (IIAB) Minerals, 2020, 10, 150
1557478	CIF	C10 H13 N O4	P 1 21/n 1	15.552; 4.355; 16.234 90; 107.41; 90	1049.1	Aitken, R.; Bloomfield, Charles; McGeachie, Liam; Slawin, Alexandra Diethyl Pyrrole-2,5-Dicarboxylate Molbank, 2020, 2020, M1117
1557481	CIF Paper	C21 H22 Cl N3 O2	P -1	7.9299; 9.3219; 13.5862 87.768; 76.928; 76.025	949.2	Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183
1557482	CIF	C21 H24 Cl N3 O3	P -1	7.7631; 8.025; 16.2297 101.784; 98.374; 90.687	978.32	Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183
1557483	CIF	C35 H34 Cl2 N4 O4	P -1	10.8864; 12.2705; 13.7811 106.966; 105.782; 103.324	1595.5	Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183
1557484	CIF	C14 H12 Cl N O2	P -1	6.7049; 7.2778; 14.163 77.167; 79.908; 65.487	610.42	Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183
1557485	CIF	C17 H19 Cl N2 O3	P -1	10.4803; 11.8423; 13.3309 94.335; 95.883; 102.871	1596.16	Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183
1557486	CIF	C22 H25 N3 O2	P -1	7.7575; 9.4727; 13.3076 87.515; 78.596; 74.174	922.2	Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183
1557487	CIF	C22 H27 N3 O3	P -1	7.7248; 8.0592; 16.2531 101.711; 98.743; 90.16	978.68	Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183
1557488	CIF	C37 H40 N4 O4	P -1	10.7678; 11.9673; 13.786 106.152; 105.842; 103.49	1546.9	Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid IUCrJ, 2020, 7, 173-183
1557490	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	8.0498; 9.9049; 12.4534 90; 90.098; 90	992.94	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557491	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	7.99891; 9.797; 12.3355 90; 90.182; 90	966.67	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557492	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	7.99; 9.7226; 12.2765 90; 90.24; 90	953.67	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557493	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	8.3247; 8.8916; 12.3381 90; 87.379; 90	912.3	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557494	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	8.3142; 8.7604; 12.3106 90; 87.386; 90	895.72	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557495	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	8.3001; 8.6881; 12.2807 90; 87.539; 90	884.77	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557496	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	8.2715; 8.5665; 12.2416 90; 87.76; 90	866.8	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557497	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	8.2602; 8.4583; 12.225 90; 87.413; 90	853.3	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557498	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	8.2348; 8.2099; 12.359 90; 94.507; 90	833	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557499	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	8.2036; 8.1487; 12.344 90; 94.74; 90	822.4	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557500	CIF	C10 H22 Cr K N2 O12	P 1 21/n 1	8.141; 8.0477; 12.355 90; 94.93; 90	806.5	Ptak, Maciej; Svane, Katrine L.; Collings, Ines E.; Paraguassu, Waldeci Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI = Na, K and MIII = Cr, Al) Heterometallic Perovskites The Journal of Physical Chemistry C, 2020
1557501	CIF	C30 H34 Br2 F6 N4 O6 P2 Pt S2	P 21 21 21	11.5406; 18.5416; 18.7269 90; 90; 90	4007.2	Marumoto, Manabu; Sotani, Taichi; Miyagi, Yu; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio Synthesis of Platinum-Containing Conjugated Polymers Having QuinoxP* and Bipyridine Ligands. Chirality Transfer from the Phosphine Ligand to the Polymer Backbone Macromolecules, 2020, 53, 2031-2038
1557502	CIF	C42 H56 Cl6 Fe2 N2 O12	P 1 21/n 1	10.7583; 20.7341; 12.2345 90; 101.16; 90	2677.47	Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules Chemical Science, 2020, 11, 3610-3618
1557503	CIF	C42 H56 Cl6 Fe2 N2 O12	P 1 21/n 1	10.866; 21.1945; 12.2707 90; 101.413; 90	2770.1	Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules Chemical Science, 2020, 11, 3610-3618
1557504	CIF	C42 H56 Cl6 Fe2 N2 O12	P 1 21/n 1	10.874; 20.9284; 12.2372 90; 101.859; 90	2725.4	Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules Chemical Science, 2020, 11, 3610-3618
1557505	CIF	C42 H56 Cl6 Fe2 N2 O12	P 1 21/n 1	10.9375; 21.278; 12.2835 90; 100.818; 90	2807.9	Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules Chemical Science, 2020, 11, 3610-3618
1557506	CIF	C140 H104 Cu4 N8 O20	P -1	14.987; 16.858; 17.478 116.53; 107.31; 93.21	3679	Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671
1557507	CIF	C218 H138 Cu8 N6 O48	P -1	13.914; 20.891; 21.446 71.94; 87.87; 81.2	5857	Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671
1557508	CIF	C116 H84 Cu4 N4 O24	P 1 21/c 1	14.0177; 28.7314; 17.0738 90; 110.611; 90	6436.3	Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671
1557509	CIF	C53 H31 Cu2 N O12	I 1 2/m 1	25.8186; 22.6806; 27.2079 90; 109.69; 90	15000.9	Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671
1557510	CIF	C106 H60 Cu4 O24	C 1 2/m 1	19.687; 28.163; 10.475 90; 97.91; 90	5753	Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671
1557511	CIF	C108 H72 Cu4 O24 S4	C 1 2/c 1	14.151; 32.563; 26.766 90; 102.26; 90	12052	Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671
1557512	CIF	C168 H124 Cu4 N12 O20	P 1 21/n 1	20.979; 21.168; 23.76 90; 108.37; 90	10014	Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L. On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra Chemical Science, 2020, 11, 3664-3671
1557513	CIF	C16 H21 N2 O0.1 P	P n m a	8.613; 17.7; 9.511 90; 90; 90	1450	Zhang, Jingjing; Yang, Jin-Dong; Cheng, Jin-Pei Diazaphosphinanes as hydride, hydrogen atom, proton or electron donors under transition-metal-free conditions: thermodynamics, kinetics, and synthetic applications Chemical Science, 2020, 11, 3672-3679
1557514	CIF	C7 H3 K N O4	I 1 2/a 1	7.0581; 11.6424; 9.2407 90; 103.046; 90	739.74	Li, Chao; Wang, Kuaibing; Li, Jingze; Zhang, Qichun Nanostructured potassium-organic framework as an effective anode for potassium-ion batteries with a long cycle life. Nanoscale, 2020, 12, 7870-7874
1557515	CIF	C102 H110 Li4 N6 O18	P -1	11.098; 11.0981; 42.151 91.082; 97.39; 115.846	4617.1	Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Lemouchi, Cyprien; Allain, Magali; Zorina, Leokadiya; Batail, Patrick Nanoscale rotational dynamics of four independent rotators confined in crowded crystalline layers. Nanoscale, 2020, 12, 8294-8302
1557516	CIF HKL Paper	C14 H14 O	P 1 21/c 1	9.4559; 12.8405; 8.9638 90; 111.445; 90	1013.02	Lough, Alan J.; Pounder, Austin; Wicks, Christopher; Tam, William 1,2,3,5-Tetrahydronaphtho[2,1-<i>c</i>]oxepine IUCrData, 2020, 5, x200288
1557517	CIF HKL Paper	C32 H24	P 1 21/c 1	9.3106; 8.7232; 13.4776 90; 91.959; 90	1093.99	Detert, Heiner; Jacobs, Nina; Schollmeyer, Dieter The head-to-head photodimer of indenoindene IUCrData, 2020, 5, x200307
1557518	CIF HKL Paper	C19 H16 O	P b c a	9.4802; 14.9824; 18.6565 90; 90; 90	2649.9	Lough, Alan J.; Pounder, Austin; Tam, William 12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene IUCrData, 2020, 5, x200286
1557519	CIF HKL Paper	C27 H33 N7 O3	P m n 21	16.7781; 16.3902; 4.7894 90; 90; 90	1317.1	Anzaldo-Olivares, Bertin; Arroyo, Maribel; Ramírez-Monroy, Armando; Bernès, Sylvain Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine methanol trisolvate IUCrData, 2020, 5, x200281
1557522	CIF	C19 H20 O11	P 21 21 21	7.72414; 9.75163; 26.1754 90; 90; 90	1971.61	Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta Journal of Natural Products, 2020
1557523	CIF	C17 H16 O9	P -1	8.1135; 9.1532; 11.5337 79.165; 79.443; 80.1	818.61	Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta Journal of Natural Products, 2020
1557524	CIF	C20 H24 O11	P 21 21 21	8.40725; 9.73467; 25.8797 90; 90; 90	2118.04	Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta Journal of Natural Products, 2020
1557525	CIF	C18 H18 O11	P -1	9.1273; 9.5041; 12.0575 107.857; 90.985; 111.419	916.9	Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta Journal of Natural Products, 2020
1557526	CIF	C20 H22 O11	P 21 21 21	7.624; 9.8567; 26.9415 90; 90; 90	2024.59	Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta Journal of Natural Products, 2020
1557527	CIF	C15 H16 O10	P 1 21/c 1	17.5499; 9.7031; 8.6354 90; 95.615; 90	1463.45	Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta Journal of Natural Products, 2020
1557528	CIF	C39 H72 Cd Mo12 N6 O68 P8 Zn2	P -1	13.126; 25.198; 30.034 113.698; 101.194; 90.634	8879	Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes Catalysis Science & Technology, 2020, 10, 2593-2601
1557529	CIF	C26 H24 Cd1.2 Co0.8 Mo12 N4 Na4 O69 P8	C 1 2/c 1	21.0842; 18.3743; 21.9022 90; 100.716; 90	8337.1	Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes Catalysis Science & Technology, 2020, 10, 2593-2601
1557530	CIF	C65 H116 Al2 Cd2 Mo24 N10 O137 P16	P 1 n 1	15.882; 21.676; 25.338 90; 94.559; 90	8695.2	Tian, Xuerui; Zhang, Yaqi; Ma, Yuanyuan; Zhao, Qing; Han, Zhangang Hourglass-type polyoxometalate-based crystalline materials as efficient cooperating photocatalysts for the reduction of Cr(vi) and oxidation of dyes Catalysis Science & Technology, 2020, 10, 2593-2601
1557531	CIF	C21 Al F36 N O10 W	P 4/n :2	13.699; 13.699; 9.5293 90; 90; 90	1788.29	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557532	CIF	C30 Al2 F55 Mo O12	P a -3	17.285; 17.285; 17.285 90; 90; 90	5164.3	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557533	CIF	C22 Al F36 Mo O10	P 4/n :2	13.759; 13.759; 9.5821 90; 90; 90	1813.99	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557534	CIF	C30 Al2 F55 O12 W	P a -3	17.3168; 17.3168; 17.3168 90; 90; 90	5192.82	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557535	CIF	C21 Al F36 Mo N O10	P 4/n :2	13.7152; 13.7152; 9.5418 90; 90; 90	1794.88	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557536	CIF	C36 Al2 F73 O12 W	P -1	11.5888; 11.5986; 12.7755 82.965; 67.136; 87.863	1570.27	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557537	CIF	C32 Al2 Cl3 F55 O14 W2	P -1	11.3269; 12.2795; 23.4349 76.883; 86.161; 66.485	2909.8	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557538	CIF	C46 Al2 F72 I3 Mo3 O22	P 1 21/n 1	13.9703; 28.8124; 20.6169 90; 90.443; 90	8298.4	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557539	CIF	C30 Al2 F55 I O12 W	P -1	10.5119; 12.5617; 21.1226 85.595; 76.545; 78.485	2656.7	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557540	CIF	C68 Al4 F128 O26 W2	P -1	15.848; 17.229; 22.395 94.072; 102.24; 101.653	5811.1	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557541	CIF	C22 Al F36 I O10 W	P 1 21/c 1	16.438; 28.3511; 17.5878 90; 110.764; 90	7664.2	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557542	CIF	C96 Al6 F165 I6 Mo6 O42	P -1	13.385; 21.4285; 31.305 85.822; 81.782; 83.84	8820.3	Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals Chemical Science, 2020, 11, 3592-3603
1557543	CIF	C57 H88 N2 O	P 1 21/n 1	16.2198; 10.77; 28.9971 90; 96.1; 90	5036.7	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation Chemical Science, 2020, 11, 3516-3522
1557544	CIF	C71 H94 Mg2 N8	P 1 21/c 1	12.8246; 21.5786; 24.2161 90; 103.493; 90	6516.52	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation Chemical Science, 2020, 11, 3516-3522
1557545	CIF	C49 H60 Mg2 N6	P 1 21/c 1	12.4858; 12.0704; 31.1338 90; 92.762; 90	4686.68	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation Chemical Science, 2020, 11, 3516-3522
1557546	CIF	C137.5 H189.63 I0.04 Mg2 N4 O0.13	P 1 21/n 1	18.2067; 26.3297; 25.8355 90; 105.806; 90	11916.7	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation Chemical Science, 2020, 11, 3516-3522
1557547	CIF	C117 H144 Mg4 N12 O4	P -1	15.1058; 19.0783; 20.0582 85.762; 88.909; 66.998	5306.17	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation Chemical Science, 2020, 11, 3516-3522
1557548	CIF	C70 H86 Mg2 N8	C 1 2/c 1	18.7699; 15.7829; 22.8274 90; 109.172; 90	6387.4	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation Chemical Science, 2020, 11, 3516-3522
1557549	CIF	C57 H76 Mg2 N6	P 1 21/c 1	18.7194; 11.3129; 26.0645 90; 103.791; 90	5360.57	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation Chemical Science, 2020, 11, 3516-3522
1557550	CIF	C57 H87 I Mg N2 O	P -1	10.437; 14.8235; 18.7188 84.547; 75.886; 71.426	2661.85	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation Chemical Science, 2020, 11, 3516-3522
1557551	CIF	C151 H208 Mg4 N12 O6	P -1	17.919; 19.6004; 20.9467 79.292; 75.685; 86.86	7004	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation Chemical Science, 2020, 11, 3516-3522
1557552	CIF	C134 H184 Mg4 N12 O12	P 1 21/c 1	15.48; 15.114; 27.505 90; 103.08; 90	6268	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation Chemical Science, 2020, 11, 3516-3522
1557553	CIF	C145 H133 Cl3 I16 O18	P 1 21 1	10.85; 31.002; 11.243 90; 96.637; 90	3756.5	Pavlović, Dražen; Cohen, Shmuel Controlled synthesis of unsubstituted high molecular weight poly(para-phenylene) via Suzuki polycondensation-thermal aromatization methodology Polymer Chemistry, 2020, 11, 2550-2558
1557560	CIF	C8 H32 Cd0.96 Cu0.04 N6 O18 S2	P 1 21/n 1	6.5584; 27.8708; 7.1955 90; 110.371; 90	1232.99	Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate. The journal of physical chemistry. A, 2020
1557561	CIF	C8 H32 Cd0.96 Cu0.04 N6 O18 S2	P 1 21/n 1	6.5282; 27.7012; 7.1557 90; 110.584; 90	1211.42	Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate. The journal of physical chemistry. A, 2020
1557562	CIF	C73 H76 Ag3 Cl2 Cu2 P S6	P 1 21/n 1	14.5564; 33.71; 14.6416 90; 94.219; 90	7165.1	Anumula, Rajini; Xiao, Pin; Cui, Chaonan; Wu, Haiming; Cui, Ganglong; Fang, Wei-Hai; Luo, Zhixun; Yao, Jiannian A small bimetallic Ag<sub>3</sub>Cu<sub>2</sub> nanocluster with dual emissions within and against Kasha's rule. Nanoscale, 2020, 12, 7864-7869
1557567	CIF	C45 H34 B F2 N3	P -1	12.309; 12.652; 12.944 106.387; 109.432; 104.59	1685.3	Mahmood, Zafar; Taddei, Maria; Rehmat, Noreen; Bussotti, Laura; Doria, Sandra; Guan, Qinglin; Ji, Shaomin; Zhao, Jianzhang; Di Donato, Mariangela; Huo, Yanping; Xing, Yong Heng Color-Tunable Delayed Fluorescence and Efficient Spin‒Orbit Charge Transfer Intersystem Crossing in Compact Carbazole-Anthracene-Bodipy Triads Employing the Sequential Electron Transfer Approach The Journal of Physical Chemistry C, 2020
1557568	CIF	C46 H37 B Cl2 F2 N3 O0.5	P -1	14.2619; 14.8156; 18.7795 84.988; 86.27; 80.923	3898.1	Mahmood, Zafar; Taddei, Maria; Rehmat, Noreen; Bussotti, Laura; Doria, Sandra; Guan, Qinglin; Ji, Shaomin; Zhao, Jianzhang; Di Donato, Mariangela; Huo, Yanping; Xing, Yong Heng Color-Tunable Delayed Fluorescence and Efficient Spin–Orbit Charge Transfer Intersystem Crossing in Compact Carbazole-Anthracene-Bodipy Triads Employing the Sequential Electron Transfer Approach The Journal of Physical Chemistry C, 2020
1557569	CIF	C27 H23 B F2 N2	C 1 2/c 1	14.7132; 20.895; 7.2659 90; 97.143; 90	2216.4	Mahmood, Zafar; Taddei, Maria; Rehmat, Noreen; Bussotti, Laura; Doria, Sandra; Guan, Qinglin; Ji, Shaomin; Zhao, Jianzhang; Di Donato, Mariangela; Huo, Yanping; Xing, Yong Heng Color-Tunable Delayed Fluorescence and Efficient Spin‒Orbit Charge Transfer Intersystem Crossing in Compact Carbazole-Anthracene-Bodipy Triads Employing the Sequential Electron Transfer Approach The Journal of Physical Chemistry C, 2020
1557570	CIF	C20 H18 N2 O5	P -1	8.27; 9.1848; 12.4194 71.619; 82.065; 79.191	876.19	Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R. Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction Chemical Science, 2020, 11, 3569-3573
1557571	CIF	C44 H44 N4 O11	P 21 21 21	10.9162; 11.3807; 31.809 90; 90; 90	3951.8	Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R. Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction Chemical Science, 2020, 11, 3569-3573
1557572	CIF	C8 H8 O5	P 1 21 1	9.2321; 18.768; 18.876 90; 93.72; 90	3263.7	Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R. Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction Chemical Science, 2020, 11, 3569-3573
1557573	CIF HKL Paper	C19 H18 O2	P 1 21/c 1	12.2712; 11.2934; 10.8984 90; 112.565; 90	1394.71	Lough, Alan J.; Koh, Samuel; Tam, William 12,15-Dimethyl-8-oxatetracyclo[8.8.0.0^2,7^.0^11,16^]octadeca-1(18),2,4,6,11(16),12,14-heptaen-10-ol IUCrData, 2020, 5, x200315
1557580	CIF	C15 H12 N4 O3 S	P 21 21 21	6.4901; 13.5853; 17.2054 90; 90; 90	1517	Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins Chemical Science, 2020, 11, 3852-3861
1557581	CIF	C25 H21 Cl N2 O3	P 21 21 21	6.2023; 15.1707; 23.3424 90; 90; 90	2196.36	Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins Chemical Science, 2020, 11, 3852-3861
1557582	CIF	C18 H14 Br2 N4 O3	P 1 21 1	7.6364; 11.6851; 11.5473 90; 104.259; 90	998.65	Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins Chemical Science, 2020, 11, 3852-3861
1557583	CIF	C19 H15 F N4 O3	P 21 21 21	10.3148; 11.9114; 14.6673 90; 90; 90	1802.08	Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins Chemical Science, 2020, 11, 3852-3861
1557584	CIF	C25 H21 Cl N2 O3	P 21 21 21	6.6447; 14.3101; 22.5008 90; 90; 90	2139.5	Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins Chemical Science, 2020, 11, 3852-3861
1557585	CIF	C37 H61 Eu N8 O15	F d d d :2	18.1194; 20.3557; 43.9834 90; 90; 90	16222.5	Hewitt, Sarah H.; Macey, Georgina; Mailhot, Romain; Elsegood, Mark R. J.; Duarte, Fernanda; Kenwright, Alan M.; Butler, Stephen J. Tuning the anion binding properties of lanthanide receptors to discriminate nucleoside phosphates in a sensing array Chemical Science, 2020, 11, 3619-3628
1557586	CIF	C22 H18 Br Cl0 N O2	P 21 21 21	5.8675; 12.4208; 24.4967 90; 90; 90	1785.3	Shen, Bin; He, Qianwen; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming A chiral cobalt(ii) complex catalyzed enantioselective aza-Piancatelli rearrangement/Diels‒Alder cascade reaction Chemical Science, 2020, 11, 3862-3867
1557587	CIF	C11 H10 Br N O	P -1	6.732; 7.228; 12.0162 80.831; 86.517; 62.902	513.81	Ikeda, Hideaki; Nishi, Kohei; Tsurugi, Hayato; Mashima, Kazushi Chromium-catalyzed cyclopropanation of alkenes with bromoform in the presence of 2,3,5,6-tetramethyl-1,4-bis(trimethylsilyl)-1,4-dihydropyrazine Chemical Science, 2020, 11, 3604-3609
1557594	CIF	C16 H22 Cl2 Co N4 O4	P 1 21/n 1	9.5079; 32.3832; 13.8528 90; 110.045; 90	4006.9	Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate Catalysis Science & Technology, 2020, 10, 2540-2548
1557595	CIF	C17 H22 Cl2 Co N4 O4	P 1 21/c 1	12.2832; 7.3066; 22.5865 90; 95.779; 90	2016.8	Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate Catalysis Science & Technology, 2020, 10, 2540-2548
1557596	CIF	C41 H44 B Cl Co N4	P 21 21 21	9.8205; 14.0434; 26.706 90; 90; 90	3683.1	Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate Catalysis Science & Technology, 2020, 10, 2540-2548
1557597	CIF	C43 H46 B Cl Co N4	P 1 21/c 1	16.0327; 10.7162; 22.6792 90; 107.025; 90	3725.7	Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate Catalysis Science & Technology, 2020, 10, 2540-2548
1557598	CIF	C18 H18 F3 N O4	P 21 21 21	10.186; 11.3558; 15.5296 90; 90; 90	1796.31	Zhang, Shuyue; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D. Tandem sequential catalytic enantioselective synthesis of highly-functionalised tetrahydroindolizine derivatives Chemical Science, 2020, 11, 3885-3892
1557600	CIF	C77 H75 Cl N2 Pd	P 1 21/c 1	13.1908; 27.7405; 18.6474 90; 92.509; 90	6816.9	Li, Shuaikang; Xu, Guoyong; Dai, Shengyu A remote nonconjugated electron effect in insertion polymerization with α-diimine nickel and palladium species Polymer Chemistry, 2020, 11, 2692-2699
1557601	CIF	C77 H67 Cl F8 N2 Pd	P 1 21/c 1	15.332; 36.69; 14.7501 90; 114.377; 90	7557.7	Li, Shuaikang; Xu, Guoyong; Dai, Shengyu A remote nonconjugated electron effect in insertion polymerization with α-diimine nickel and palladium species Polymer Chemistry, 2020, 11, 2692-2699
1557603	CIF	C21 H18 N2 O2 S	C 1 2/c 1	17.4822; 9.78677; 20.9912 90; 103.576; 90	3491.13	Li, Guofeng; Zhao, Man; Xie, Junqiu; Yao, Ying; Mou, Lingyun; Zhang, Xiaowei; Guo, Xiaomin; Sun, Wangsheng; Wang, Zheng; Xu, Jiecheng; Xue, Jianzhong; Hu, Tao; Zhang, Ming; Li, Min; Hong, Liang Efficient synthesis of cyclic amidine-based fluorophores via 6π-electrocyclic ring closure Chemical Science, 2020, 11, 3586-3591
1557604	CIF	C20 H44 Cl2 N2 O2 P2 U	P 1 21/c 1	12.7105; 28.115; 8.1727 90; 105.391; 90	2815.8	Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands Chemical Science, 2020, 11, 7585-7592
1557605	CIF	C18 H40 Cl2 N2 O2 P2 U	P 1 21/c 1	14.48; 14.59; 12.5668 90; 102.29; 90	2594.1	Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands Chemical Science, 2020, 11, 7585-7592
1557606	CIF	C40 H88 Cl4 N4 O4 P4 Pd2 U2	P c c n	16.3226; 22.813; 14.7718 90; 90; 90	5500.5	Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands Chemical Science, 2020, 11, 7585-7592
1557607	CIF	C44 H96 Cl4 N4 O6 P4 Pt3 U2	C 1 2/c 1	12.663; 21.4809; 23.0838 90; 99.354; 90	6195.6	Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands Chemical Science, 2020, 11, 7585-7592
1557608	CIF	C22 H48 Cl2 N2 Ni O3 P2 U	P 1 21/n 1	11.3508; 12.914; 20.597 90; 95.165; 90	3006.9	Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands Chemical Science, 2020, 11, 7585-7592
1557609	CIF	C44 H96 Cl4 N4 Ni2 O5 P4 U2	P 1 21/n 1	14.5223; 15.8953; 27.339 90; 103.728; 90	6130.6	Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands Chemical Science, 2020, 11, 7585-7592
1557610	CIF	C40 H63 Cl2 N2 O3 P3 Pd U	P -1	12.208; 12.209; 17.048 108.557; 90.701; 108.839	2261	Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands Chemical Science, 2020, 11, 7585-7592
1557611	CIF HKL Paper	C59 H90 N9 O10 S	P 21 21 21	9.942; 22.986; 26.512 90; 90; 90	6059	Purdy, Sarah Kendra; Spasyuk, Denis; Chitanda, Jackson Mulenga; Reaney, Martin J. T. [1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate IUCrData, 2020, 5, x200318
1557612	CIF HKL Paper	C17 H14 N2 O S	C 1 c 1	9.434; 17.134; 8.826 90; 105.01; 90	1378	Tojiboev, Akmal; Nasrullaev, Azizbek; Turgunov, Kambarali; Elmuradov, Burkhan; Tashkhodjaev, Bakhodir (<i>E</i>)-6-(Furan-2-ylmethylidene)-6,7,8,9-tetrahydropyrido[2,1-<i>b</i>]quinazoline-11-thione IUCrData, 2020, 5
1557613	CIF	C22 H28 O5 S	P -1	7.3975; 10.7485; 13.1441 92.571; 96.25; 97.449	1028.29	Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence Chemical Science, 2020, 11, 3878-3884
1557614	CIF	C15 H22 O3	P 1 21/n 1	7.6688; 22.4305; 15.4747 90; 101.329; 90	2610.02	Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro–Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence Chemical Science, 2020, 11, 3878-3884
1557615	CIF	C12 H20 O2	P 1 21/c 1	7.1285; 11.9273; 13.4833 90; 104.629; 90	1109.24	Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence Chemical Science, 2020, 11, 3878-3884
1557616	CIF	C15 H20 O3	P -1	7.2165; 8.3504; 11.317 82.649; 76.258; 68.964	617.61	Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence Chemical Science, 2020, 11, 3878-3884
1557617	CIF	C23 H28 N2 O3 S	P 1 21/c 1	10.3539; 19.9619; 11.8443 90; 113.384; 90	2246.95	Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence Chemical Science, 2020, 11, 3878-3884
1557618	CIF	C22 H30 N2 O4 S	P 1 21/n 1	9.961; 17.5295; 13.2899 90; 101.667; 90	2272.62	Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence Chemical Science, 2020, 11, 3878-3884
1557619	CIF HKL Paper	C14 H11 Cl N2 O2 S	P -1	7.2285; 7.2385; 13.7586 102.192; 99.616; 104.149	663.91	Narayan, Easha; Fu, Liangfeng; Gribble, Gordon W.; Kaur, Manpreet; Jasinski, Jerry P. 7-Chloro-3-(4-methylphenylsulfonyl)pyrrolo[1,2-<i>c</i>]pyrimidine IUCrData, 2020, 5
1557620	CIF HKL Paper	C30 H22 N4	P 1 21/c 1	7.0953; 8.931; 18.219 90; 95.49; 90	1149.2	Detert, Heiner; Jochem, Matthias; Schollmeyer, Dieter 2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine IUCrData, 2020, 5
1557622	CIF	C35 H32 Cl N O3 P2 Pd	P -1	11.0648; 12.5473; 15.4261 78.272; 71.155; 88.709	1982.39	Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers Polymer Chemistry, 2020, 11, 2740-2748
1557623	CIF	C28 H35 Cl4 N3 O3 P2 Pd	P -1	11.2563; 12.7674; 14.3032 67.146; 74.271; 78.535	1813.12	Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers Polymer Chemistry, 2020, 11, 2740-2748
1557624	CIF	C38 H45 Cl4 N O3 P2 Pd	P -1	10.2352; 14.3325; 14.817 65.248; 83.2; 79.814	1940.4	Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers Polymer Chemistry, 2020, 11, 2740-2748
1557625	CIF	C48 H55 Au F6 N4 O11 S2	P 21 21 21	9.1199; 23.4191; 23.6083 90; 90; 90	5042.3	Reid, Jolene P.; Hu, Mingyou; Ito, Susumu; Huang, Banruo; Hong, Cynthia M.; Xiang, Hengye; Sigman, Matthew S.; Toste, F. Dean Strategies for remote enantiocontrol in chiral gold(iii) complexes applied to catalytic enantioselective γ,δ-Diels‒Alder reactions Chemical Science, 2020, 11, 6450-6456
1557626	CIF	C21 H9 N3 O6 Ti	P a -3	20.9953; 20.9953; 20.9953 90; 90; 90	9254.8	Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity Chemical Science, 2020, 11, 3978-3985
1557627	CIF	C3.5 H1.5 N0.5 O Ti0.17	P a -3	21.1222; 21.1222; 21.1222 90; 90; 90	9423.6	Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity Chemical Science, 2020, 11, 3978-3985
1557628	CIF	C H N O Ti	P a -3	21.1205; 21.1205; 21.1205 90; 90; 90	9421.3	Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity Chemical Science, 2020, 11, 3978-3985
1557631	CIF	C23 H25 Cl O6	P 1 21 1	12.1671; 5.4176; 16.7266 90; 107.932; 90	1049	Wang, Weiyi; Yang, Jing; Liao, Yan-Yan; Cheng, Gang; Chen, Jing; Cheng, Xiang-Dong; Qin, Jiang-Jiang; Shao, Zongze Cytotoxic Nitrogenated Azaphilones from the Deep-Sea-Derived Fungus Chaetomium globosum MP4-S01-7 Journal of Natural Products, 2020
1557632	CIF	C25 H27 N O7 S	P -1	8.0895; 12.0696; 14.0112 100.514; 104.24; 108.18	1208.85	Winn, Blake A.; Devkota, Laxman; Kuch, Bunnarack; MacDonough, Matthew T.; Strecker, Tracy E.; Wang, Yifan; Shi, Zhe; Gerberich, Jeni L.; Mondal, Deboprosad; Ramirez, Alejandro J.; Hamel, Ernest; Chaplin, David J.; Davis, Peter; Mason, Ralph P.; Trawick, Mary Lynn; Pinney, Kevin G. Bioreductively Activatable Prodrug Conjugates of Combretastatin A-1 and Combretastatin A-4 as Anticancer Agents Targeted toward Tumor-Associated Hypoxia Journal of Natural Products, 2020
1557633	CIF	C26 H10 B Br F15 N	P -1	7.3; 11.867; 15.598 78.16; 80.45; 88.78	1304.1	Aramaki, Yoshitaka; Imaizumi, Naoki; Hotta, Mao; Kumagai, Jun; Ooi, Takashi Exploiting single-electron transfer in Lewis pairs for catalytic bond-forming reactions Chemical Science, 2020, 11, 4305-4311
1557634	CIF	C26 H37 N3 O	P 1 21/n 1	9.6311; 19.6619; 13.541 90; 106.977; 90	2452.5	Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L. Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires Chemical Science, 2020, 11, 3820-3828
1557635	CIF	C73 H76 Cl2 N10 O4	C 1 2/c 1	33.136; 6.8671; 30.967 90; 100.031; 90	6938.8	Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L. Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires Chemical Science, 2020, 11, 3820-3828
1557636	CIF	C21 H27 N3 O12 Tb	P -1	10.4608; 10.9006; 12.5293 104.61; 107.84; 97.204	1283.78	Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks Chemical Science, 2020, 11, 4164-4170
1557637	CIF	C11 H10 N O7 Tb	P 1 21/n 1	13.388; 6.6366; 15.567 90; 98.599; 90	1367.6	Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks Chemical Science, 2020, 11, 4164-4170
1557638	CIF	C15 H11 N O2 S2	P 1 21/c 1	5.9915; 29.952; 7.8574 90; 95.092; 90	1404.5	Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides Chemical Science, 2020, 11, 3903-3908
1557639	CIF	C18 H15 O3 S2	P -1	9.234; 9.723; 10.6174 99.463; 113.869; 105.929	796.06	Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides Chemical Science, 2020, 11, 3903-3908
1557640	CIF	C30 H27 Br O3 S2	P 1 21 1	23.8898; 6.7617; 24.8099 90; 102.215; 90	3916.95	Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides Chemical Science, 2020, 11, 3903-3908
1557643	CIF	C H Cl N Pd	P -1	14.9205; 16.8222; 22.8584 86.207; 74.171; 76.595	5369.4	Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Chen, Changle Direct Synthesis of Polar Functionalized Polyethylene Thermoplastic Elastomer Macromolecules, 2020
1557644	CIF	C112 H192 In26 Mn4 N32 S51	I 41/a :2	22.436; 22.436; 38.165 90; 90; 90	19211	Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters Chemical Science, 2020, 11, 4085-4096
1557645	CIF	C112 H192 Fe4 In26 N32 O0 S51	I 41/a :2	22.329; 22.329; 38.059 90; 90; 90	18976	Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters Chemical Science, 2020, 11, 4085-4096
1557646	CIF	C19 H19 Br O5	P -1	8.9606; 9.9217; 11.8105 72.29; 88.75; 63.972	891.12	Zhao, Qiang; Jin, Ji-Kang; Wang, Jie; Zhang, Feng-Lian; Wang, Yi-Feng Radical α-addition involved electrooxidative [3 + 2] annulation of phenols and electron-deficient alkenes Chemical Science, 2020, 11, 3909-3913
1557647	CIF	C54 H72 Fe3 Ho Li3 O6	P 1 21/c 1	11.3991; 63.596; 13.7285 90; 92.383; 90	9943.7	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet Chemical Science, 2020, 11, 3936-3951
1557648	CIF	C54 H72 Fe3 Gd Li3 O6	P 1 21/c 1	11.3774; 63.872; 13.7293 90; 92.491; 90	9967.6	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet Chemical Science, 2020, 11, 3936-3951
1557649	CIF	C54 H72 Fe3 Li3 O6 Yb	P 1 21/c 1	11.4155; 63.489; 13.73 90; 92.17; 90	9943.8	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet Chemical Science, 2020, 11, 3936-3951
1557650	CIF	C60 H84 Fe3 Ho Li3 O6	P 1 21/n 1	11.3389; 13.7172; 36.2329 90; 95.344; 90	5611.1	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet Chemical Science, 2020, 11, 3936-3951
1557651	CIF	C64.38 H58.38 Fe3 Ho Li3 N6.88	P 21 21 21	21.206; 22.6446; 23.1321 90; 90; 90	11108.1	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet Chemical Science, 2020, 11, 3936-3951
1557652	CIF	C54 H72 Fe3 Li3 Lu O6	P 1 21/c 1	11.4149; 63.246; 13.743 90; 92.282; 90	9914	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet Chemical Science, 2020, 11, 3936-3951
1557653	CIF	C54 H72 Fe3 Li3 O6 Tm	P 1 21/c 1	11.4199; 63.606; 13.7467 90; 92.28; 90	9977	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet Chemical Science, 2020, 11, 3936-3951
1557654	CIF	C54 H72 Er Fe3 Li3 O6	P 1 21/c 1	11.4007; 63.598; 13.7293 90; 92.262; 90	9946.8	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet Chemical Science, 2020, 11, 3936-3951
1557655	CIF	C58 H80 Fe3 Li3 Lu O7	I 1 a 1	20.62; 32.856; 25.081 90; 104.923; 90	16419	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet Chemical Science, 2020, 11, 3936-3951
1557656	CIF	C58 H80 Fe3 Li3 O7 Yb	C 1 c 1	28.077; 32.756; 20.619 90; 120.475; 90	16343	Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet Chemical Science, 2020, 11, 3936-3951
1557657	CIF	C110 H130 Au4 B Cu5 P4 S6	C 1 2/c 1	24.3967; 24.77; 18.4252 90; 108.384; 90	10566.2	Zhou, Manman; Jin, Shan; Wei, Xiao; Yuan, Qianqin; Wang, Shuxin; Du, Yuanxin; Zhu, Manzhou Reversible Cu‒S Motif Transformation and Au4 Distortion via Thiol Ligand Exchange Engineering The Journal of Physical Chemistry C, 2020, 124, 7531-7538
1557658	CIF	C36 H46 Cl10 Fe4 N6 O9	P 1 21/n 1	13.612; 13.537; 14.409 90; 109.931; 90	2496.1	Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction Catalysis Science & Technology, 2020, 10, 2830-2837
1557659	CIF	C32 H40 Cl4 Fe2 N6 O10	P 1 21/c 1	11.8719; 16.9617; 9.4064 90; 102.136; 90	1851.81	Karim, Suhana; Chakraborty, Aratrika; Samanta, Debabrata; Zangrando, Ennio; Ghosh, Totan; Das, Debasis A dinuclear iron complex as an efficient electrocatalyst for homogeneous water oxidation reaction Catalysis Science & Technology, 2020, 10, 2830-2837
1557660	CIF Paper	C13 H24 O4	P 1 21/n 1	5.5195; 9.4058; 26.283 90; 90.84; 90	1364.3	Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids IUCrJ, 2020, 7
1557661	CIF	C15 H28 O4	P 1 21/c 1	5.4671; 9.2806; 29.827 90; 94.449; 90	1508.8	Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids IUCrJ, 2020, 7
1557662	CIF	C9 H12 B N O3	P b c a	11.5309; 7.674; 21.8978 90; 90; 90	1937.7	Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids. The journal of physical chemistry. A, 2020
1557663	CIF	C8 H10 B N O3	P 1 21/c 1	4.98445; 24.1243; 7.0635 90; 98.767; 90	839.44	Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids. The journal of physical chemistry. A, 2020
1557664	CIF	C7 H7 B O3	I 1 a 1	7.1663; 9.8589; 9.865 90; 100.286; 90	685.78	Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids. The journal of physical chemistry. A, 2020
1557665	CIF	C31 H38 N4 O7 Zn	P -1	9.859; 11.493; 15.268 100.424; 106.364; 93.104	1622.4	Konieczny, Piotr; Pel̷ka, Robert; Masuda, Yuka; Sakata, Shiomi; Kayahara, Saori; Irie, Natsumi; Kajiwara, Takashi; Baran, Stanisl̷aw Anisotropy of Spin‒Lattice Relaxations in Mononuclear Tb3+ Single-Molecule Magnets The Journal of Physical Chemistry C, 2020
1557666	CIF	C61 H66 F3 N8 O15 S Tb Zn2	R 3 2 :H	11.8682; 11.8682; 38.4392 90; 90; 120	4688.9	Konieczny, Piotr; Pel̷ka, Robert; Masuda, Yuka; Sakata, Shiomi; Kayahara, Saori; Irie, Natsumi; Kajiwara, Takashi; Baran, Stanisl̷aw Anisotropy of Spin‒Lattice Relaxations in Mononuclear Tb3+ Single-Molecule Magnets The Journal of Physical Chemistry C, 2020
1557667	CIF	C21 H24 O2	P 1 21/n 1	13.0157; 9.4167; 13.1769 90; 94.249; 90	1610.59	Badmus, Fatimat O.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy Synthesis of functionalized tetrahydropyrans via cascade cycloaddition involving silyloxyallyl cation intermediates. Chemical communications (Cambridge, England), 2020, 56, 5034-5037
1557668	CIF	C15 H9 F2 N O	P -1	3.8629; 11.5405; 13.9513 74.149; 82.55; 87.829	593.24	Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong “Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation Materials Horizons, 2020, 7, 1566-1572
1557669	CIF	C30 H20 F2 N2 O2	P 1 2/c 1	21.7576; 9.38142; 22.7647 90; 99.6152; 90	4581.39	Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong “Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation Materials Horizons, 2020, 7, 1566-1572
1557670	CIF	C30 H18 F4 N2 O2	P -1	8.8798; 12.2737; 13.1272 63.758; 80.374; 68.947	1197.53	Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong “Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation Materials Horizons, 2020, 7, 1566-1572
1557671	CIF	C30 H18 F4 N2 O2	P -1	9.159; 12.266; 12.8671 107.066; 107.962; 106.939	1193.03	Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong “Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation Materials Horizons, 2020, 7, 1566-1572
1557672	CIF	C30 H18 F4 N2 O2	P 1 21/c 1	12.9258; 11.10764; 8.24353 90; 101.365; 90	1160.36	Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong “Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation Materials Horizons, 2020, 7, 1566-1572
1557673	CIF	C15 H10 F N O	P 1 21/c 1	6.6501; 26.3347; 7.4237 90; 115.269; 90	1175.7	Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong “Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation Materials Horizons, 2020, 7, 1566-1572
1557674	CIF	C12 H18 O	P -1	6.2162; 12.5583; 20.7881 92.381; 98.293; 100.115	1577.16	Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways Chemical Science, 2020, 11, 4209-4220
1557675	CIF	C19 H24 N2 O6	P 1 21/c 1	19.54; 8.3364; 11.3992 90; 95.016; 90	1849.7	Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways Chemical Science, 2020, 11, 4209-4220
1557676	CIF	C19 H34 O Si	P 1 21/c 1	23.4244; 6.2336; 13.0105 90; 90.557; 90	1899.68	Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways Chemical Science, 2020, 11, 4209-4220
1557677	CIF	C12 H18 O	I 41/a :2	22.3413; 22.3413; 8.6532 90; 90; 90	4319.1	Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways Chemical Science, 2020, 11, 4209-4220
1557678	CIF	C20 H23 Br O2	P n a 21	11.4263; 19.625; 15.7208 90; 90; 90	3525.25	Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways Chemical Science, 2020, 11, 4209-4220
1557679	CIF	C62 H114 Fe N4 Na4 Zn4	C 1 2/c 1	27.395; 44.055; 14.5103 90; 100.575; 90	17215	Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E. A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity Chemical Science, 2020, 11, 6510-6520
1557680	CIF	C39 H42 N7 Na Zn	P 21 21 21	8.8556; 17.4144; 23.9796 90; 90; 90	3698.01	Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E. A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity Chemical Science, 2020, 11, 6510-6520
1557681	CIF	C68 H110 Fe N4 Na4 Zn4	P 1 21/c 1	14.895; 26.966; 18.622 90; 111.871; 90	6941.3	Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E. A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity Chemical Science, 2020, 11, 6510-6520
1557682	CIF	C55 H102 Fe N6 Na2 Zn2	P -1	12.9797; 15.0261; 15.9756 99.482; 90.798; 99.459	3028.7	Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E. A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity Chemical Science, 2020, 11, 6510-6520
1557683	CIF HKL Paper	C10 H13 N5	P 1 21/c 1	10.7335; 12.4005; 7.9206 90; 93.654; 90	1052.09	Bhat, Radhika; Shraddha, K. N.; Begum, Noor Shahina 4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbonitrile IUCrData, 2020, 5
1557687	CIF	C26 H39 F3 N3 O3 S	P 1 21/c 1	11.3959; 8.8582; 26.7626 90; 91.58; 90	2700.58	Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation Chemical Science, 2020, 11, 4138-4149
1557688	CIF	C26 H39 F3 N3 O3 S	P 1 21/n 1	14.9305; 11.67; 16.4062 90; 109.508; 90	2694.5	Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation Chemical Science, 2020, 11, 4138-4149
1557692	CIF	C15 H16 Br N2	P 1 21/n 1	10.7086; 9.7764; 13.0365 90; 107.06; 90	1304.76	Kochanowska-Karamyan, Anna J.; Araujo, Hugo C.; Zhang, Xiong; El-Alfy, Abir; Carvalho, Paulo; Avery, Mitchell A.; Holmbo, Stephen D.; Magolan, Jakob; Hamann, Mark T. Isolation and Synthesis of Veranamine, an Antidepressant Lead from the Marine Sponge Verongula rigida Journal of Natural Products, 2020
1557693	CIF	C65 H61 B F24 N2 O2 Pd	P -1	12.486; 15.7992; 18.2813 74.958; 70.373; 83.08	3278.2	Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Fuchs, Amelie S.; Fischer, Stephan R. R.; Mecking, Stefan Catalytic Chain Transfer Polymerization to Functional Reactive End Groups for Controlled Free Radical Growth Macromolecules, 2020
1557694	CIF	C63 H58 B F24 N3 Pd	P -1	12.7207; 15.1193; 16.6268 93.278; 98.104; 98.439	3121.7	Stadler, Sonja M.; Göttker-Schnetmann, Inigo; Fuchs, Amelie S.; Fischer, Stephan R. R.; Mecking, Stefan Catalytic Chain Transfer Polymerization to Functional Reactive End Groups for Controlled Free Radical Growth Macromolecules, 2020
1557695	CIF	C24 H23 N O	P 1 21/c 1	11.129; 9.485; 18.178 90; 90.821; 90	1918.6	Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J. Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines Chemical Science, 2020, 11, 7619-7625
1557696	CIF	C25 H26 N2 O	P 1 21/c 1	10.9067; 9.988; 18.4338 90; 94.55; 90	2001.78	Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J. Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines Chemical Science, 2020, 11, 7619-7625
1557697	CIF HKL Paper	C26 H22 O6	P 1 21/c 1	6.1631; 19.253; 18.0743 90; 96.83; 90	2129.4	Lesley, Melvin J. G.; Ozhan, Koray; Sung, Herman H.-Y.; Williams, Ian D. Trimethyl 4,4',4''-(ethene-1,1,2-triyl)tribenzoate IUCrData, 2020, 5, x200417
1557703	CIF	C41 H47 N O13	P 21 21 21	13.5605; 16.7746; 17.6055 90; 90; 90	4004.8	Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis. Journal of natural products, 2020, 83, 1005-1017
1557704	CIF	C40 H44 O13	P 21 21 21	11.5632; 16.5034; 18.9525 90; 90; 90	3616.75	Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis. Journal of natural products, 2020, 83, 1005-1017
1557705	CIF	C37 H46 O13	P 41	9.3231; 9.3231; 42.7604 90; 90; 90	3716.74	Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis. Journal of natural products, 2020, 83, 1005-1017
1557706	CIF	C20 H30 O6	P 1 21 1	10.0116; 7.2838; 13.4741 90; 91.07; 90	982.39	Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>. Journal of natural products, 2020, 83, 927-936
1557707	CIF	C20 H30 O7	P 1 21 1	10.5287; 7.3127; 12.9166 90; 94.614; 90	991.27	Shen, Yi; Cui, Shu-Jun; Chen, Hao; Shen, Lei; Wang, Min; Dong, Xiang; Xiao, Chao-Jiang; Jiang, Bei Antimalarial Eudesmane Sesquiterpenoids from <i>Dobinea delavayi</i>. Journal of natural products, 2020, 83, 927-936
1557708	CIF	C19 H19 N O2	P 1 21/c 1	10.8161; 8.4185; 16.7407 90; 97.266; 90	1512.09	Zheng, Shuai; Zhang, Shuo-Qing; Saeednia, Borna; Zhou, Jiawang; Anna, Jessica M.; Hong, Xin; Molander, Gary A. Diastereoselective olefin amidoacylation via photoredox PCET/nickel-dual catalysis: reaction scope and mechanistic insights Chemical Science, 2020, 11, 4131-4137
1557709	CIF	C288 H330 Cu2 Na2 O496 P6 W72	I 2 3	41.6063; 41.6063; 41.6063 90; 90; 90	72024	Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate. Nanoscale, 2020, 12, 10166-10171
1557710	CIF	C144 H165 Co Na O252 P3 W36	I 2 3	41.7665; 41.7665; 41.7665 90; 90; 90	72859	Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate. Nanoscale, 2020, 12, 10166-10171
1557711	CIF	C15 H13 N3 O S	C 1 2/c 1	19.0137; 7.3113; 20.1679 90; 95.594; 90	2790.3	Ila, ?; Dani, Reshmi; Verma, Surya Pratap; Krishnamoorthy, G. The origin of the longer wavelength emission in 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole and its analogue 2-phenylamino-5-(2-hydroxybenzono)-1,3,4-thiadiazole. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 844-853
1557713	CIF	D2.15 Mg2.28 O6 Si1.32	R -3 m :H	2.9647; 2.9647; 13.8892 90; 90; 120	105.72	Purevjav, Narangoo; Okuchi, Takuo; Hoffmann, Christina Strong hydrogen bonding in a dense hydrous magnesium silicate discovered by neutron Laue diffraction IUCrJ, 2020, 7
1557716	CIF	C30 H27 Cl F6 Ir N2 P	C 1 2/c 1	29.0834; 11.8532; 17.8688 90; 115.95; 90	5538.9	Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020
1557717	CIF	C27.75 H28.75 Cl2.25 F6 Ir N2 P	P -1	8.8214; 12.811; 13.5282 81.1829; 82.9683; 87.8789	1499.15	Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020
1557718	CIF	C28 H26 F6 Ir N2 P	P 1 21/c 1	15.8944; 10.8142; 15.7843 90; 111.606; 90	2522.46	Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020
1557719	CIF	C27 H25 Cl3 F8 Ir N2 P	P -1	8.8857; 11.9211; 14.3535 84.168; 86.455; 75.92	1466.03	Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020
1557720	CIF	C26 H26 F6 Ir N2 P	P 1 21/c 1	15.2558; 10.7013; 15.9682 90; 110.221; 90	2446.2	Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020
1557721	CIF	C32 H41 F6 Mn N7 O7 S2	P 21 21 21	9.2868; 18.0311; 22.9054 90; 90; 90	3835.54	Beaver, Matthew G.; Shi, Xianqing; Riedel, Jan; Patel, Parth; Zeng, Alicia; Corbett, Michael T.; Robinson, Jo Anna; Parsons, Andrew T.; Cui, Sheng; Baucom, Kyle; Lovette, Michael A.; Içten, Elçin; Brown, Derek B.; Allian, Ayman; Flick, Tawnya G.; Chen, Wendy; Yang, Ning; Walker, Shawn D. Continuous Process Improvement in the Manufacture of Carfilzomib, Part 2: An Improved Process for Synthesis of the Epoxyketone Warhead Organic Process Research & Development, 2020, 24, 490-499
1557722	CIF	C36 H46 N4 O6 P2	P -1	9.437; 10.4908; 18.5143 96.9776; 99.2858; 104.161	1728.97	Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2 Catalysis Science & Technology, 2020, 10, 2549-2560
1557723	CIF	C27 H30 Br2 Co N4 O7 S2	P -1	8.1545; 11.7917; 16.3115 107.981; 96.136; 103.72	1421.47	Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2 Catalysis Science & Technology, 2020, 10, 2549-2560
1557724	CIF	C26 H28 Br2 Co N4 O4	P 1 21/n 1	8.0833; 11.8214; 13.6272 90; 95.751; 90	1295.61	Weder, Nicola; Probst, Benjamin; Sévery, Laurent; Fernández-Terán, Ricardo J.; Beckord, Jan; Blacque, Olivier; Tilley, S. David; Hamm, Peter; Osterwalder, Jürg; Alberto, Roger Mechanistic insights into photocatalysis and over two days of stable H2 generation in electrocatalysis by a molecular cobalt catalyst immobilized on TiO2 Catalysis Science & Technology, 2020, 10, 2549-2560
1557725	CIF	C10.67 H14 Cl4 N2.67 Ru S2.67	P 1 21/n 1	7.7554; 13.9099; 27.058 90; 92.8263; 90	2915.4	Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I. Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation. Metallomics : integrated biometal science, 2020, 12, 491-503
1557726	CIF	C10 H17 Cl4 N2 O Ru S3	P 1	8.0381; 8.1691; 8.3951 85.2736; 71.5044; 61.7748	459.11	Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I. Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation. Metallomics : integrated biometal science, 2020, 12, 491-503
1557727	CIF	C9.44 H19.44 Cl4 N4 O1.78 Ru S3	P 1 21/n 1	10.805; 10.9929; 17.0331 90; 101.318; 90	1983.8	Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I. Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation. Metallomics : integrated biometal science, 2020, 12, 491-503
1557730	CIF	C17 H25 N O3	P 1 21 1	14.3592; 7.0144; 15.9545 90; 94.836; 90	1601.24	Khushi, Shamsunnahar; Salim, Angela A.; Elbanna, Ahmed H.; Nahar, Laizuman; Bernhardt, Paul V.; Capon, Robert J. Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia Journal of Natural Products, 2020
1557731	CIF	C17 H26 N O5.5	C 1 2 1	14.3803; 5.9304; 20.8174 90; 102.702; 90	1731.88	Khushi, Shamsunnahar; Salim, Angela A.; Elbanna, Ahmed H.; Nahar, Laizuman; Bernhardt, Paul V.; Capon, Robert J. Dysidealactams and Dysidealactones: Sesquiterpene Glycinyl-Lactams, Imides, and Lactones from a Dysidea sp. Marine Sponge Collected in Southern Australia Journal of Natural Products, 2020
1557732	CIF	C53 H39 N5 O2 S	P -1	10.3043; 10.5271; 21.1147 88.634; 86.866; 70.331	2153.5	Lv, Chunyan; Liu, Wangwang; Luo, Qing; Yi, Haiyan; Yu, Huakang; Yang, Zhongmin; Zou, Bo; Zhang, Yujian A highly emissive AIE-active luminophore exhibiting deep-red to near-infrared piezochromism and high-quality lasing Chemical Science, 2020, 11, 4007-4015
1557733	CIF	C25 H35 Cu N3 O15 S	P -1	11.944; 12.209; 12.69 108.719; 99.862; 107.399	1597.6	Huang, Nai-Han; Liu, Yan; Li, Rong-Tian; Chen, Jing; Hu, Pei-Pei; Young, David J.; Chen, Jin-Xiang; Zhang, Wen-Hua Sequential Ag<sup>+</sup>/biothiol and synchronous Ag<sup>+</sup>/Hg<sup>2+</sup> biosensing with zwitterionic Cu<sup>2+</sup>-based metal-organic frameworks. The Analyst, 2020, 145, 2779-2788
1557734	CIF	C96 H68 Cu4 N12 O18 S2	P -1	11.3364; 22.492; 24.752 66.251; 88.427; 82.262	5721.7	Huang, Nai-Han; Liu, Yan; Li, Rong-Tian; Chen, Jing; Hu, Pei-Pei; Young, David J.; Chen, Jin-Xiang; Zhang, Wen-Hua Sequential Ag<sup>+</sup>/biothiol and synchronous Ag<sup>+</sup>/Hg<sup>2+</sup> biosensing with zwitterionic Cu<sup>2+</sup>-based metal-organic frameworks. The Analyst, 2020, 145, 2779-2788
1557737	CIF	C114 H810 Mo132 N46 O708 S2	R -3 :H	32.6262; 32.6262; 73.225 90; 90; 120	67503	Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics Chemical Science, 2020, 11, 2388-2393
1557738	CIF	C120 H806 Mo132 N48 O676 S3	R -3 :H	32.3898; 32.3898; 72.8225 90; 90; 120	66162.6	Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics Chemical Science, 2020, 11, 2388-2393
1557739	CIF	C120 H926 Mo132 N48 O736 S3	R -3 :H	32.4465; 32.4465; 72.887 90; 90; 120	66453.3	Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics Chemical Science, 2020, 11, 2388-2393
1557740	CIF	C10 H14 Cd O6 P2	P 1 21/c 1	4.6221; 19.4673; 14.7079 90; 98.627; 90	1308.4	Zeng, Tianyu; Shi, Dajun; Cheng, Qingrong; Liao, Guiying; Zhou, Hong; Pan, Zhiquan Construction of novel phosphonate-based MOF/P‒TiO2 heterojunction photocatalysts: enhanced photocatalytic performance and mechanistic insight Environmental Science: Nano, 2020, 7, 861-879
1557741	CIF	C26 H32 Mn2 N2 O12	P 1 21/n 1	10.402; 22.6864; 12.1807 90; 92.034; 90	2872.6	MIKURIYA, Masahiro; KOYAMA, Yoshiki; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji Dinuclear Manganese(III) Complex with a Schiff-base Having a Di-μ-acetato-μ-alkoxido-bridged Core X-ray Structure Analysis Online, 2020, 36, 7-9
1557742	CIF	C2 H0.064 D0.936 O5 Sb	P n m a	5.8207; 11.2873; 6.3126 90; 90; 90	414.74	Kohlmann, Holger; Rauchmaul, Anne; Keilholz, Simon; Franz, Alexandra Crystal Structure and Thermal Behavior of SbC2O4OH and SbC2O4OD Inorganics, 2020, 8, 21
1557744	CIF	S8 V7	P 32 2 1	6.689; 6.689; 17.403 90; 90; 120	674.3	Bindi, Luca; Zaccarini, Federica; Bonazzi, Paola; Grammatikopoulos, Tassos; Tsikouras, Basilios; Stanley, Chris; Garuti, Giorgio Eliopoulosite, V7S8, A New Sulfide from the Podiform Chromitite of the Othrys Ophiolite, Greece Minerals, 2020, 10, 245
1557745	CIF	C9 H8 K N O3	P c c a	13.9484; 18.528; 7.0215 90; 90; 90	1814.6	Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis. Molecules (Basel, Switzerland), 2020, 25, 1257
1557746	CIF	C9 H9 K N O4	P 1 21/c 1	18.879; 6.2395; 8.7555 90; 99.765; 90	1016.4	Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis. Molecules (Basel, Switzerland), 2020, 25, 1257
1557747	CIF	C44 H96 Ca2 Cl N6 O36 V12	P 1 21/c 1	10.6954; 29.2218; 28.2691 90; 95.3952; 90	8796.1	Greiner, Simon; Schwarz, Benjamin; Ringenberg, Mark; Dürr, Maximilian; Ivanovic-Burmazovic, Ivana; Fichtner, Maximilian; Anjass, Montaha; Streb, Carsten Redox-inactive ions control the redox-activity of molecular vanadium oxides Chemical Science, 2020, 11, 4450-4455
1557748	CIF	C26 H15 N5 O	P -1	9.2313; 9.3742; 11.8955 84.254; 67.426; 81.238	938.451	Gryl, Marlena; Ostrowska, Katarzyna; Barquera-Lozada, Jose Enrique; Stadnicka, Katarzyna M. Unveiling the Impact of Aggregation on Optical Anisotropy of Triazaacephenanthrylene Single Crystals. A Combined Quantum Crystallography and Conceptual Density Functional Theory Approach. The journal of physical chemistry. A, 2020
1557749	CIF	C27 H27 Cl4 F3 N2 Pd	P 21 21 21	7.3222; 16.3645; 22.9119 90; 90; 90	2745.4	Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands Chemical Science, 2020, 11, 4602-4607
1557750	CIF	C20 H22 O2	C 1 2 1	23.2747; 6.7781; 10.2443 90; 91.9349; 90	1615.2	Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands Chemical Science, 2020, 11, 4602-4607
1557751	CIF HKL Paper	C66 H94 N7 O18 V7	P 1 21/c 1	14.6285; 29.9816; 20.5191 90; 94.548; 90	8971	Kodama, Shintaro; Kondo, Shota; Nomoto, Akihiro; Ogawa, Akiya Tris(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine)(<i>trans</i>-4-<i>tert</i>-butylcyclohexanolato)deca-μ-oxido-heptaoxidoheptavanadium acetonitrile monosolvate including another unknown solvent molecule IUCrData, 2020, 5, x200449
1557752	CIF HKL	C12 H16 Cu2 I2 N2 S4	P 1 21/c 1	8.7612; 13.1852; 16.4458 90; 94.4; 90	1894.2	Assoumatine, Tokouré; Stoeckli-Evans, Helen Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]: a two-dimensional copper(I) coordination polymer IUCrData, 2020, 5, x200467
1557753	CIF HKL Paper	C6 H6 F8 O4	P 1 21 1	5.3009; 8.625; 10.6976 90; 91.146; 90	489	Feightner, Kylie; Powell, Douglas R.; Burba, Christopher M. 2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol IUCrData, 2020, 5, x200445
1557755	CIF	C136 H116 N6 Zn	C 1 2/c 1	38.495; 7.8252; 36.789 90; 115.523; 90	10000.5	Wang, Chunlai; Zhao, Muyuan; Rheingold, Arnold L.; Sauvé, Geneviève Structure‒Property Study of Homoleptic Zinc(II) Complexes of Di(arylethynyl) Azadipyrromethene as Nonfullerene Acceptors for Organic Photovoltaics: Effect of the Aryl Group The Journal of Physical Chemistry C, 2020
1557756	CIF	C152 H124 N6 Zn	P 1 21/c 1	19.5977; 18.3817; 34.4782 90; 92.16; 90	12411.6	Wang, Chunlai; Zhao, Muyuan; Rheingold, Arnold L.; Sauvé, Geneviève Structure‒Property Study of Homoleptic Zinc(II) Complexes of Di(arylethynyl) Azadipyrromethene as Nonfullerene Acceptors for Organic Photovoltaics: Effect of the Aryl Group The Journal of Physical Chemistry C, 2020
1557759	CIF	C45 H34 B2 F4 N4 O2	P 1 21/c 1	10.4967; 35.322; 10.5918 90; 107.076; 90	3753.9	Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar Controlling Photophysical Properties of Systems Containing Multiple BODIPY Units Linked by Methylene Bridge The Journal of Physical Chemistry C, 2020, 124, 9056-9067
1557760	CIF	C6 H11 S3 Sb	P 1 21/n 1	7.5797; 9.1057; 27.371 90; 95.218; 90	1881.3	Moaven, Shiva; Watson, Brandon T.; Thompson, Shelby B.; Lyons, Veronica J.; Unruh, Daniel K.; Casadonte, Dominick J.; Pappas, Dimitri; Cozzolino, Anthony F. Self-assembly of reversed bilayer vesicles through pnictogen bonding: water-stable supramolecular nanocontainers for organic solvents Chemical Science, 2020, 11, 4374-4380
1557761	CIF	C71 H53 B Cl2 F20 N2	P -1	13.2446; 13.7731; 20.2266 94.923; 102.959; 114.918	3192.4	Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes Chemical Science, 2020, 11, 7615-7618
1557762	CIF	C35 H21 B F20 N2	P 1 21 1	8.40488; 18.0272; 11.0843 90; 91.4773; 90	1678.9	Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes Chemical Science, 2020, 11, 7615-7618
1557763	CIF	C52 H39 B Cl2 F20 N2	P -1	12.4784; 12.6328; 17.6483 69.366; 84.7909; 78.9069	2554.12	Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes Chemical Science, 2020, 11, 7615-7618
1557764	CIF	C64 H39 B F20 N2	P b c a	18.0482; 18.05071; 34.8012 90; 90; 90	11337.6	Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes Chemical Science, 2020, 11, 7615-7618
1557765	CIF	C12 Bi2 N12 S12 Zn3	C 1 2/c 1	26.3104; 8.4587; 15.7403 90; 93.63; 90	3496	Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P. The structures of ordered defects in thiocyanate analogues of Prussian Blue Chemical Science, 2020, 11, 4430-4438
1557766	CIF	C12 Bi2 N12 S12 Zn3	P 1 21/c 1	17.7331; 13.6501; 16.4375 90; 114.397; 90	3623.55	Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P. The structures of ordered defects in thiocyanate analogues of Prussian Blue Chemical Science, 2020, 11, 4430-4438
1557767	CIF	C7 H14 Bi Mn2 N7 O7 S7	P 1 21/n 1	8.3065; 25.8428; 12.2664 90; 90.2358; 90	2633.12	Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P. The structures of ordered defects in thiocyanate analogues of Prussian Blue Chemical Science, 2020, 11, 4430-4438
1557768	CIF	C36 H76 Bi6 Co9 N36 O38 S36	P -1	12.0209; 12.1613; 23.8319 94.2; 94.003; 91.452	3464.52	Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P. The structures of ordered defects in thiocyanate analogues of Prussian Blue Chemical Science, 2020, 11, 4430-4438
1557769	CIF	C30 H74 Bi5 N33 Ni6 O16 S30	P -1	11.8567; 11.8653; 18.3824 84.0731; 76.714; 85.1942	2498.6	Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P. The structures of ordered defects in thiocyanate analogues of Prussian Blue Chemical Science, 2020, 11, 4430-4438
1557770	CIF	C7 H14 Bi Mn2 N7 O7 S7	P 1 21/n 1	8.3698; 26.0037; 12.2466 90; 91.208; 90	2664.83	Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P. The structures of ordered defects in thiocyanate analogues of Prussian Blue Chemical Science, 2020, 11, 4430-4438
1557775	CIF	C16 H13 N3 O	P 1 21/c 1	13.1254; 8.1029; 12.686 90; 109.249; 90	1273.78	Li, Baixue; Qin, Anjun; Tang, Ben Zhong Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s Polymer Chemistry, 2020, 11, 3075-3083
1557776	CIF	C18 H14 N4	P 1 21/c 1	11.065; 15.5926; 9.3078 90; 108.433; 90	1523.5	Li, Baixue; Qin, Anjun; Tang, Ben Zhong Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s Polymer Chemistry, 2020, 11, 3075-3083
1557777	CIF	C18 H14 N4	P -1	9.1045; 9.4078; 9.9658 110.846; 92.668; 107.055	751.7	Li, Baixue; Qin, Anjun; Tang, Ben Zhong Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s Polymer Chemistry, 2020, 11, 3075-3083
1557783	CIF	C86 H83 Cl4 Mo4 N12 O16	P 1 21/c 1	15.1713; 14.8958; 22.0423 90; 106.726; 90	4770.6	Meng, Miao; Tang, Zheng; Mallick, Suman; Luo, Ming Hui; Tan, Zhibing; Liu, Jun-Yang; Shi, Jia; Yang, Yang; Liu, Chun Y.; Hong, Wenjing Enhanced charge transport via d(δ)-p(π) conjugation in Mo<sub>2</sub>-integrated single-molecule junctions. Nanoscale, 2020, 12, 10320-10327
1557784	CIF	C42 H38 Mo2 N6 O8	P -1	12.1607; 12.8866; 13.626 76.922; 89.914; 69.182	1936.8	Meng, Miao; Tang, Zheng; Mallick, Suman; Luo, Ming Hui; Tan, Zhibing; Liu, Jun-Yang; Shi, Jia; Yang, Yang; Liu, Chun Y.; Hong, Wenjing Enhanced charge transport via d(δ)-p(π) conjugation in Mo<sub>2</sub>-integrated single-molecule junctions. Nanoscale, 2020, 12, 10320-10327
1557785	CIF	C69 H154 O47 Ti17	C 1 2/c 1	22.4736; 24.012; 20.6252 90; 97.765; 90	11028	Liu, Caiyun; Hu, Junyi; Biswas, Subharanjan; Zhu, Feng; Zhan, Jinhua; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng Surface-Enhanced Raman Scattering of Phenols and Catechols by a Molecular Analogue of Titanium Dioxide. Analytical chemistry, 2020, 92, 5929-5936
1557786	CIF	C21 H36 O5	P 21 21 21	6.7541; 13.6991; 21.781 90; 90; 90	2015.3	Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata. Journal of agricultural and food chemistry, 2020
1557787	CIF	C21 H36 O5	P 21 21 21	8.0964; 14.0282; 17.5127 90; 90; 90	1989.1	Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata. Journal of agricultural and food chemistry, 2020
1557788	CIF	C10 H14 I N2 O2	P b c a	8.3415; 10.1215; 25.9996 90; 90; 90	2195.11	Yang, Zhimin; Stein, Richard A.; Ngendahimana, Thacien; Pink, Maren; Rajca, Suchada; Jeschke, Gunnar; Eaton, Sandra S.; Eaton, Gareth R.; Mchaourab, Hassane S.; Rajca, Andrzej Supramolecular Approach to Electron Paramagnetic Resonance Distance Measurement of Spin-Labeled Proteins. The journal of physical chemistry. B, 2020
1557789	CIF	O2 Ti	P 1 2/c 1	4.519; 5.503; 4.888 90; 90.59; 90	121.5	Oliver Tschauner; Chi Ma; Antonio Lanzirotti; Matthew G. Newville Riesite, a New High Pressure Polymorph of TiO2 from the Ries Impact Structure Minerals, 2020, 10, 78
1557790	CIF	C43 H39 B F4 N2 O2	P 1 21/c 1	14.502; 12.866; 20.32 90; 106.828; 90	3629	Zhou, Chengcheng; Jiang, Meijuan; Du, Jian; Bai, Haotian; Shan, Guogang; Kwok, Ryan T. K.; Chau, Joe H. C.; Zhang, Jun; Lam, Jacky W. Y.; Huang, Peng; Tang, Ben Zhong One stone, three birds: one AIEgen with three colors for fast differentiation of three pathogens Chemical Science, 2020, 11, 4730-4740
1557794	CIF	C10 H2 In N4 O8	I m -3 m	31.3413; 31.3413; 31.3413 90; 90; 90	30785.8	Huang, Qi; Guo, Yuanyuan; Wang, Xian; Chai, Lulu; Ding, Junyang; Zhong, Li; Li, Ting-Ting; Hu, Yue; Qian, Jinjie; Huang, Shaoming In-MOF-derived ultrathin heteroatom-doped carbon nanosheets for improving oxygen reduction. Nanoscale, 2020, 12, 10019-10025
1557795	CIF	C31 H21 F Ir N3 O	P 1 21/n 1	11.4485; 9.3218; 23.3115 90; 92.268; 90	2485.9	Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents New Journal of Chemistry, 2020, 44, 7832-7837
1557796	CIF	C29 H27 F Ir N5 O3	P 1 21/c 1	10.7444; 22.9897; 10.6487 90; 96.221; 90	2614.9	Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents New Journal of Chemistry, 2020, 44, 7832-7837
1557797	CIF	C35 H21 F Ir N3 O	C 1 2/c 1	21.5039; 16.6692; 14.8357 90; 101.136; 90	5217.8	Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents New Journal of Chemistry, 2020, 44, 7832-7837
1557798	CIF	C33 H25 F Ir N3 O	C 1 2/c 1	20.4836; 16.3026; 15.6214 90; 100.056; 90	5136.4	Qin, Li-Qin; Zou, Bi-Qun; Qin, Qi-Pin; Wang, Zhen-Feng; Yang, Lin; Tan, Ming-Xiong; Liang, Chun-Jie; Liang, Hong Highly cytotoxic, cyclometalated iridium(iii)-5-fluoro-8-quinolinol complexes as cancer cell mitochondriotropic agents New Journal of Chemistry, 2020, 44, 7832-7837
1557799	CIF	C15 H16 O7	P 1 21 1	8.07861; 10.5922; 8.39036 90; 97.3584; 90	712.05	Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi Bioactive Polyhydroxanthones from Penicillium purpurogenum Journal of Natural Products, 2020
1557800	CIF	C39 H38 O19	P 1 21 1	10.25093; 14.51735; 12.5428 90; 102.897; 90	1819.49	Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi Bioactive Polyhydroxanthones from Penicillium purpurogenum Journal of Natural Products, 2020
1557801	CIF	C15 H19 O6.5	P 1 21 1	8.8976; 13.2445; 11.7818 90; 90.183; 90	1388.41	Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi Bioactive Polyhydroxanthones from Penicillium purpurogenum Journal of Natural Products, 2020
1557802	CIF	C15 H16 O6	P 21 21 21	7.01084; 10.9717; 17.1758 90; 90; 90	1321.18	Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi Bioactive Polyhydroxanthones from Penicillium purpurogenum Journal of Natural Products, 2020
1557803	CIF	C16 H12 Cl N O	P 1 21 1	4.9863; 11.0727; 24.1254 90; 95.681; 90	1325.46	Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix Polymeric Helical Structures à la Carte by Rational Design of Monomers Macromolecules, 2020, 53, 3182-3193
1557804	CIF	C16 H13 N O2	C 1 2 1	19.191; 9.515; 7.2721 90; 99.117; 90	1311.1	Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix Polymeric Helical Structures à la Carte by Rational Design of Monomers Macromolecules, 2020, 53, 3182-3193
1557805	CIF	C16 H12 Cl N O	P 21 21 21	4.9936; 10.8879; 23.631 90; 90; 90	1284.8	Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix Polymeric Helical Structures à la Carte by Rational Design of Monomers Macromolecules, 2020, 53, 3182-3193
1557806	CIF	C16 H13 N O2	P 21 21 21	7.5806; 7.9701; 22.102 90; 90; 90	1335.4	Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix Polymeric Helical Structures à la Carte by Rational Design of Monomers Macromolecules, 2020, 53, 3182-3193
1557807	CIF	C16 H12 Cl N O	P 21 21 21	5.3167; 14.4015; 17.1898 90; 90; 90	1316.2	Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix Polymeric Helical Structures à la Carte by Rational Design of Monomers Macromolecules, 2020, 53, 3182-3193
1557808	CIF	C16 H13 N O2	P 1 21 1	8.4442; 7.7559; 10.4879 90; 108.302; 90	652.13	Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix Polymeric Helical Structures à la Carte by Rational Design of Monomers Macromolecules, 2020, 53, 3182-3193
1557810	CIF	C12 H15 N3 O4	P 1 21/c 1	6.6373; 13.1251; 14.4267 90; 99.673; 90	1238.92	Anstis, Daniel G.; Lindsay, Ashley C.; Söhnel, Tilo; Sperry, Jonathan Synthesis of the 1,2,4-Thiadiazole Alkaloid Polyaurine B Journal of Natural Products, 2020
1557811	CIF	C35 H33 N O4	F 2 d d	8.4764; 33.008; 40.934 90; 90; 90	11453	Mateos, Javier; Vega-Peñaloza, Alberto; Franceschi, Pietro; Rigodanza, Francesco; Andreetta, Philip; Companyó, Xavier; Pelosi, Giorgio; Bonchio, Marcella; Dell’Amico, Luca A visible-light Paternò–Büchi dearomatisation process towards the construction of oxeto-indolinic polycycles Chemical Science, 2020, 11, 6532-6538
1557814	CIF	C17 H11 Cl F3 N5 O3	P -1	7.9899; 10.1223; 11.6441 101.878; 104.712; 97.38	874.95	Rudd, Nathan D.; Reibarkh, Mikhail; Fang, Rui; Mittal, Sachin; Walsh, Paul L.; Brunskill, Andrew P. J.; Forrest, William P. Interpreting <i>in vitro</i> Release Performance from Long-Acting Parenteral Nanosuspensions using USP-4 Dissolution and Spectroscopic Techniques. Molecular pharmaceutics, 2020
1557815	CIF	C81 H68 N4 O8	P -1	13.6605; 14.7195; 17.277 86.231; 68.978; 80.007	3193.5	Li, Yin-Xiang; Dong, Xue-Mei; Yu, Meng-Na; Liu, Wei; Nie, Yi-Jie; Eginligil, Mustafa; Liu, Ju-Qing; Jiang, Wen-Jie; Wang, Xiao-Jing; Xu, Chun-Xiang; Xie, Ling-Hai; Huang, Wei Enhanced emission in organic nanocrystals via asymmetrical design of spirocyclic aromatic hydrocarbons. Nanoscale, 2020, 12, 9964-9968
1557816	CIF	C81 H68 N4 O9	P -1	10.556; 16.36; 20.984 68.742; 80.019; 71.824	3201.3	Li, Yin-Xiang; Dong, Xue-Mei; Yu, Meng-Na; Liu, Wei; Nie, Yi-Jie; Eginligil, Mustafa; Liu, Ju-Qing; Jiang, Wen-Jie; Wang, Xiao-Jing; Xu, Chun-Xiang; Xie, Ling-Hai; Huang, Wei Enhanced emission in organic nanocrystals via asymmetrical design of spirocyclic aromatic hydrocarbons. Nanoscale, 2020, 12, 9964-9968
1557817	CIF HKL Paper	C17 H22 N2 O	P 1 21/n 1	6.1444; 12.8514; 19.3315 90; 91.626; 90	1525.9	Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R. 5-MeO-DALT: the freebase of N,N-diallyl-5-methoxytryptamine IUCrData, 2020, 5
1557818	CIF	C23 H25 Br N4 O3	P -1	9.278; 10.9501; 11.6256 87.339; 68.312; 88.577	1096.27	Saini, Vaishali; Krishnan, Rangan; Khungar, Bharti Exploration of fluorescence behavior of an imidazolium-based chemosensor in solution and in the solid state and its turn-on response to Al<sup>3+</sup> in pure aqueous medium. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 931-942
1557821	CIF	C20 H28 O8	P 21 21 21	7.2655; 10.1927; 24.3238 90; 90; 90	1801.3	Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects Journal of Natural Products, 2020
1557822	CIF	C28 H38 O9	P 1 21 1	11.2781; 9.82934; 11.8906 90; 102.641; 90	1286.2	Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects Journal of Natural Products, 2020
1557823	CIF	C29 H37 Cl3 O9	P 21 21 21	10.2039; 13.7078; 24.7447 90; 90; 90	3461.12	Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects Journal of Natural Products, 2020
1557824	CIF	C20 H26 O10	P 1 21 1	10.3686; 6.6338; 13.6339 90; 103.943; 90	910.15	Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects Journal of Natural Products, 2020
1557825	CIF	C27 H33 O8	P 1 21 1	8.3215; 10.2604; 14.326 90; 99.725; 90	1205.6	Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects Journal of Natural Products, 2020
1557826	CIF	C120 H56 Dy2 N4 Ni O	P -1	14.3857; 14.7255; 19.1301 84.837; 88.064; 61.889	3559.7	Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A. Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle Chemical Science, 2020, 11, 4766-4772
1557827	CIF	C117 H50 Dy2 N4 Ni O S2	P 1 21/c 1	17.914; 16.589; 25.753 90; 106.775; 90	7327.5	Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A. Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle Chemical Science, 2020, 11, 4766-4772
1557828	CIF	C82 H88 N14 O12	P -1	10.5727; 12.998; 15.4783 104.398; 102.401; 109.792	1831.32	Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L. Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles Chemical Science, 2020, 11, 5650-5657
1557829	CIF	C86 H88 N14 O4	P 1 21/n 1	16.711; 12.6971; 18.2586 90; 99.327; 90	3822.9	Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L. Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles Chemical Science, 2020, 11, 5650-5657
1557830	CIF	C78 H92 N14 O6	C 1 2/c 1	12.761; 17.133; 31.684 90; 93.976; 90	6911	Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L. Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles Chemical Science, 2020, 11, 5650-5657
1557831	CIF	C4 H4 N2 O2	P n m a	11.866; 11.883; 6.3933 90; 90; 90	901.5	Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L. Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles Chemical Science, 2020, 11, 5650-5657
1557832	CIF	C82 H92 N10 O8	R -3 :H	43.6284; 43.6284; 10.7942 90; 90; 120	17793.4	Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L. Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles Chemical Science, 2020, 11, 5650-5657
1557833	CIF	C53 H52 N6 O7	P 1 21/c 1	10.9587; 59.0761; 22.009 90; 101.952; 90	13939.7	Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L. Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles Chemical Science, 2020, 11, 5650-5657
1557834	CIF	C208.5 H180 Fe8 N12	P -1	19.2992; 19.3512; 27.206 105.998; 90.079; 119.907	8348.1	Cook, Andrew W.; Bocarsly, Joshua D.; Lewis, Richard A.; Touchton, Alexander J.; Morochnik, Simona; Hayton, Trevor W. An iron ketimide single-molecule magnet [Fe4(NCPh2)6] with suppressed through-barrier relaxation Chemical Science, 2020, 11, 4753-4757
1557835	CIF	Cl1.5 Fe0.5 H6 O3	C 1 2/m 1	11.7058; 6.9904; 5.9153 90; 100.159; 90	476.45	Afra, Salar; Samouei, Hamidreza; Truong, Phuc; Nasr-El-Din, Hisham Micellar growth and network formation in acidic solutions of a sulfobetaine zwitterionic surfactant triggered by an inorganic salt. Soft matter, 2020, 16, 4494-4501
1557836	CIF	C26 H43 Al I2 N2	P 1 21/n 1	10.145; 17.053; 17.044 90; 102.029; 90	2883.9	Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis Chemical Science, 2020, 11, 4817-4827
1557837	CIF	C58 H100 Al2 N4 O1.79	C 1 2/c 1	36.035; 15.3951; 21.8876 90; 104.19; 90	11771.9	Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis Chemical Science, 2020, 11, 4817-4827
1557838	CIF	C72 H102 Al2 N4	P 1 2/c 1	13.5339; 13.5131; 18.1559 90; 100.481; 90	3265	Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis Chemical Science, 2020, 11, 4817-4827
1557839	CIF	C70 H104 Al2 N6	C 1 2/c 1	21.6994; 15.8898; 20.777 90; 90.177; 90	7163.9	Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis Chemical Science, 2020, 11, 4817-4827
1557840	CIF	C54 H90 Al2 N4	P 1 21/c 1	12.4062; 18.1378; 24.62 90; 101.846; 90	5422	Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis Chemical Science, 2020, 11, 4817-4827
1557841	CIF	C55 H93 Al2 N4	C 1 2/c 1	35.126; 15.4352; 21.8147 90; 109.512; 90	11148.2	Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis Chemical Science, 2020, 11, 4817-4827
1557842	CIF	C23 H55 K2 N2 O2 Si8	C 1 2/c 1	21.1709; 21.2048; 18.2698 90; 100.139; 90	8073.7	Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures. Dalton transactions (Cambridge, England : 2003), 2020, 49, 5787-5790
1557843	CIF	C8 H24 N O Rb Si4	P 1 21/c 1	8.9604; 16.9073; 12.2222 90; 109.493; 90	1745.49	Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures. Dalton transactions (Cambridge, England : 2003), 2020, 49, 5787-5790
1557844	CIF	C8 H24 N Na O Si4	P 1 21/n 1	12.9603; 15.1185; 17.6321 90; 110.328; 90	3239.67	Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures. Dalton transactions (Cambridge, England : 2003), 2020, 49, 5787-5790
1557845	CIF	C8 H24 Cs N O Si4	P 1 21/c 1	8.9537; 17.4898; 12.2613 90; 110.183; 90	1802.2	Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures. Dalton transactions (Cambridge, England : 2003), 2020, 49, 5787-5790
1557846	CIF	C24 H72 N2 Na2 O4 Si12	P 1 21/n 1	10.2536; 12.3598; 18.9999 90; 92.488; 90	2405.63	Jost, Maximilian; Richter, Roman-Malte; Balmer, Markus; Peters, Bertram; Dankert, Fabian; von Hänisch, Carsten Coordination polymers of alkali metal cyclosiloxazanides with one- and two-dimensional structures. Dalton transactions (Cambridge, England : 2003), 2020, 49, 5787-5790
1557847	CIF HKL Paper	C20 H21 N O	C 1 2/c 1	16.7588; 23.4597; 8.7769 90; 98.771; 90	3410.34	Manjula, V.; Venkateswaramoorthi, R.; Dharmaraja, J.; Selvanayagam, S. 2,6-Diphenyl-3-(prop-2-en-1-yl)piperidin-4-one IUCrData, 2020, 5, x200526
1557852	CIF	C13 H14 O6 S	P c a 21	18; 9.537; 7.754 90; 90; 90	1331.1	Yuan, Wei-Hua; Teng, Meng-Ting; Yun, Yang-Fang; Jiang, Nan; Ma, Lin; Sun, Shan-Shan; Yuan, Bo; Tang, Jian; Wu, Qian-Yu; Li, Qian; Zhang, Peng; Morris-Natschke, Susan L; Lee, Kuo-Hsiung Talarolactone A, an Isocoumarin Derivative Fused with Dihydrothiophene with Selective Antimigratory Activity from the Endolichenic Fungus <i>Talaromyces</i> sp. Journal of natural products, 2020
1557853	CIF	C15 H24 O4	P -1	8.5031; 8.6453; 9.5875 82.846; 86.058; 88.035	697.42	Xu, Hong-Bo; Yang, Tong-Hua; Xie, Pei; Tang, Zhi-Shu; Xu, Huai-Li; Deng, Chong; Liang, Yan-Ni; Zhou, Rui; Liu, Shi-Jun; Zhang, Yu Cyperane-Type and Related (Nor)Sesquiterpenoids from the Root Bark of Acanthopanax gracilistylus and Their Inhibitory Effects on Nitric Oxide Production Journal of Natural Products, 2020
1557854	CIF	C15 H18 O3	C 1 2 1	17.226; 5.4934; 14.4457 90; 111.841; 90	1268.9	Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>. Journal of natural products, 2020
1557855	CIF	C15 H20 O4	P 1 21 1	6.6612; 11.0697; 9.6314 90; 103.76; 90	689.81	Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>. Journal of natural products, 2020
1557856	CIF	C16 H24 O6	P 1 21 1	7.2833; 11.5034; 9.4902 90; 101.578; 90	778.94	Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>. Journal of natural products, 2020
1557857	CIF	C15 H22 O3	P 21 21 21	7.4807; 11.5246; 31.2716 90; 90; 90	2695.99	Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>. Journal of natural products, 2020
1557858	CIF	C9 H3 N3	P 1 21 1	3.8397; 7.7446; 13.585 90; 93.79; 90	403.09	Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence The Journal of Physical Chemistry C, 2020
1557859	CIF	C8 H4 N2	P -1	3.909; 11.97; 14.614 89.88; 85.59; 89.86	681.8	Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence The Journal of Physical Chemistry C, 2020
1557860	CIF	C8 H4 N2	P -1	3.781; 6.45; 7.27 114.297; 92.785; 97.812	159	Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence The Journal of Physical Chemistry C, 2020
1557861	CIF	C8 H4 N2	P 1 n 1	14.125; 3.844; 14.305 90; 119.046; 90	679	Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence The Journal of Physical Chemistry C, 2020
1557862	CIF	C20 H35 Al N6	P n a 21	18.8949; 10.1078; 23.9918 90; 90; 90	4582.1	Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M. Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates Catalysis Science & Technology, 2020, 10, 3265-3278
1557863	CIF	C33.5 H44 Al2 N6	P 1 21/c 1	18.637; 9.384; 26.354 90; 125.325; 90	3760.4	Navarro, Marta; Sánchez-Barba, Luis F.; Garcés, Andrés; Fernández-Baeza, Juan; Fernández, Israel; Lara-Sánchez, Agustín; Rodríguez, Ana M. Bimetallic scorpionate-based helical organoaluminum complexes for efficient carbon dioxide fixation into a variety of cyclic carbonates Catalysis Science & Technology, 2020, 10, 3265-3278
1557864	CIF	C44 H59 In N2 O S	P 1 21/c 1	18.3672; 14.0583; 17.9736 90; 118.814; 90	4066.4	Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands Chemical Science, 2020, 11, 6485-6491
1557865	CIF	C44 H59 In N2 O2	P 1 21/c 1	17.5732; 13.8493; 18.4226 90; 117.891; 90	3962.8	Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands Chemical Science, 2020, 11, 6485-6491
1557866	CIF	C46 H61 In N2 O	P 1 21/n 1	18.402; 13.9008; 18.4542 90; 119.051; 90	4126.7	Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands Chemical Science, 2020, 11, 6485-6491
1557867	CIF	C45 H60 In N3 O	P 1 21/c 1	18.3804; 13.9887; 18.328 90; 119.839; 90	4087.7	Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands Chemical Science, 2020, 11, 6485-6491
1557868	CIF	C88 H92 B F24 In N2 O6	P -1	12.616; 13.343; 26.255 80.163; 76.369; 85.869	4229.7	Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands Chemical Science, 2020, 11, 6485-6491
1557869	CIF	C14 H17 Br O4	P b c n	21.874; 15.366; 8.915 90; 90; 90	2996.5	Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds Chemical Science, 2020, 11, 5082-5088
1557870	CIF	C26 H25 Cl8 N O4 Sb	P 1 21/n 1	11.6398; 18.4868; 16.2027 90; 109.07; 90	3295.2	Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds Chemical Science, 2020, 11, 5082-5088
1557871	CIF	C26 H25 Cl2 N O4	P b c a	18.383; 13.3271; 20.1022 90; 90; 90	4924.9	Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds Chemical Science, 2020, 11, 5082-5088
1557872	CIF	C32 H33 F6 N O4	P -1	10.089; 11.8293; 13.7884 97.567; 107.754; 95.274	1538.29	Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds Chemical Science, 2020, 11, 5082-5088
1557873	CIF	C28 H31 N O6	P 1 21/c 1	10.3036; 18.9257; 13.0352 90; 94.843; 90	2532.8	Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds Chemical Science, 2020, 11, 5082-5088
1557874	CIF	C28 H25 F6 N O4	P 1 21/n 1	11.7241; 12.3047; 18.3432 90; 100.077; 90	2605.4	Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds Chemical Science, 2020, 11, 5082-5088
1557875	CIF	C30 H33 Cl2 N O4	P -1	11.84; 14.543; 18.231 97.047; 105.059; 102.364	2907.7	Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds Chemical Science, 2020, 11, 5082-5088
1557876	CIF	C30 H33 Cl8 N O4 Sb	P 1 21/n 1	12.156; 15.548; 19.482 90; 90.77; 90	3681.8	Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds Chemical Science, 2020, 11, 5082-5088
1557882	CIF	C54 H75 N9 O13	P 21 21 2	31.3214; 17.9026; 12.675 90; 90; 90	7107.3	Sun, Changli; Liu, Zhiyong; Zhu, Xiangcheng; Fan, Zhiying; Huang, Xuanmei; Wu, Qiaoling; Zheng, Xiaohong; Qin, Xiangjing; Zhang, Tianyu; Zhang, Hua; Ju, Jianhua; Ma, Junying Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 ΔilaR Journal of Natural Products, 2020
1557883	CIF	C54 H75 N9 O13	P 21 21 2	26.0693; 25.2634; 19.77155 90; 90; 90	13021.5	Sun, Changli; Liu, Zhiyong; Zhu, Xiangcheng; Fan, Zhiying; Huang, Xuanmei; Wu, Qiaoling; Zheng, Xiaohong; Qin, Xiangjing; Zhang, Tianyu; Zhang, Hua; Ju, Jianhua; Ma, Junying Antitubercular Ilamycins from Marine-Derived Streptomyces atratus SCSIO ZH16 ΔilaR Journal of Natural Products, 2020
1557884	CIF	C19 H21 Cl O8	P 1 21 1	9.53453; 5.13144; 18.92992 90; 95.899; 90	921.258	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557885	CIF	C20.5 H28 Cl O7	P 21 21 21	13.1677; 15.9113; 20.4458 90; 90; 90	4283.7	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557886	CIF	C18 H21 Cl O6	P 1 21 1	6.6956; 11.5295; 11.5446 90; 90.49; 90	891.17	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557887	CIF	C18 H22 O8.5	P 1 21 1	5.3318; 22.504; 15.235 90; 94.614; 90	1822.1	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557888	CIF	C16 H19 Cl O6	P 1	8.6811; 9.5462; 10.951 69.576; 84.021; 68.822	792.79	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557889	CIF	C18 H21 Cl O7	P 1 21 1	8.9035; 9.1206; 11.7648 90; 110.431; 90	895.26	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557890	CIF	C20 H23 Cl O6	C 1 2 1	36.0878; 10.8258; 26.8601 90; 131.699; 90	7835.1	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557891	CIF	C19 H23 Cl O8	P 21 21 21	5.0563; 19.3072; 19.3617 90; 90; 90	1890.15	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557892	CIF	C18 H26 O8	P 21 21 21	8.4937; 13.9436; 16.0615 90; 90; 90	1902.21	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557893	CIF	C19 H24 O7	P 21 21 21	5.53373; 14.7351; 23.2466 90; 90; 90	1895.53	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557894	CIF	C20 H25 Cl O6	P 63	21.5791; 21.5791; 8.5971 90; 90; 120	3466.96	Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li Resorcylic Acid Lactones from an Ilyonectria sp. Journal of Natural Products, 2020
1557895	CIF	C28 H48 O4	C 1 2 1	45.216; 6.5755; 9.061 90; 95.407; 90	2682	Su, Li-Hua; Geng, Chang-An; Li, Tian-Ze; Huang, Xiao-Yan; Ma, Yun-Bao; Zhang, Xue-Mei; Wu, Gang; Yang, Zhu-Liang; Chen, Ji-Jun Spiroseoflosterol, a Rearranged Ergostane-Steroid from the Fruiting Bodies of Butyriboletus roseoflavus Journal of Natural Products, 2020
1557898	CIF	C12 H28 B Co F4 N5 O2	P b c a	13.0883; 14.8329; 19.5325 90; 90; 90	3791.99	Das, Sandip; Kulbir,; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj Nitric oxide monooxygenation (NOM) reaction of cobalt-nitrosyl {Co(NO)}8 to CoII-nitrito {CoII(NO2−)}: base induced hydrogen gas (H2) evolution Chemical Science, 2020, 11, 5037-5042
1557899	CIF	C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2	P -1	10.5566; 14.6779; 14.7391 109.074; 108.271; 97.907	1974.9	Yang, Jian; Postils, Verònica; Lipschutz, Michael I.; Fasulo, Meg; Raynaud, Christophe; Clot, Eric; Eisenstein, Odile; Tilley, T. Don Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates Chemical Science, 2020, 11, 5043-5051
1557900	CIF	C30 H26 F3 N3 O	P 1 21/n 1	14.0809; 10.9917; 17.1659 90; 108.846; 90	2514.4	Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation Chemical Science, 2020, 11, 7672-7675
1557901	CIF	C42 H34 F9 N O	P c c n	37.632; 14.8891; 13.0219 90; 90; 90	7296.3	Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation Chemical Science, 2020, 11, 7672-7675
1557902	CIF	C34 H42 N2 O2	P -1	13.5226; 14.169; 17.1029 103.45; 107.34; 103.234	2881	Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro Programmable synthesis of multiply arylated cubanes through C–H metalation and arylation Chemical Science, 2020, 11, 7672-7675
1557903	CIF	C43 H35 F9 N2 O	P -1	9.7571; 10.1037; 19.23 86.6; 88.612; 81.412	1870.97	Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation Chemical Science, 2020, 11, 7672-7675
1557904	CIF	C31 H42 N2 O4	P 1 21/n 1	12.9747; 12.3749; 17.7595 90; 101.948; 90	2789.71	Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation Chemical Science, 2020, 11, 7672-7675
1557905	CIF	C32 H40 N2 O2	P 1 21/n 1	10.4974; 24.3; 11.3737 90; 109.196; 90	2739.97	Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation Chemical Science, 2020, 11, 7672-7675
1557906	CIF	C31 H39 N3 O2	P -1	8.974; 11.737; 14.0121 113.955; 97.7538; 91.349	1331.4	Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation Chemical Science, 2020, 11, 7672-7675
1557907	CIF	C29 H37 N3 O2	P b c a	16.4161; 12.4001; 25.3104 90; 90; 90	5152.2	Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation Chemical Science, 2020, 11, 7672-7675
1557908	CIF	C38 H32 Cd N6 O6 S3	P c c a	19.0673; 26.1197; 15.5005 90; 90; 90	7719.7	Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M. Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy Chemical Science, 2020, 11, 5213-5220
1557909	CIF	C26 H16 N4 S2	P -1	5.665; 7.55; 22.845 80.52; 86.53; 88.94	962	Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M. Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy Chemical Science, 2020, 11, 5213-5220
1557910	CIF	C53 H66 Br4 O10	P -1	10.3567; 12.1184; 22.4299 91.283; 95.977; 110.754	2612.8	Al-Azemi, Talal F.; Vinodh, Mickey Pillar[5]arene-based self-assembled linear supramolecular polymer driven by guest halogen‒halogen interactions in solid and solution states Polymer Chemistry, 2020, 11, 3305-3312
1557911	CIF	C62 H74 N10 Ni2 O7	P -1	13.7399; 13.7733; 17.2885 81.371; 73.997; 86.306	3108.4	Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides Polymer Chemistry, 2020, 11, 3225-3236
1557912	CIF	C51 H72 N8 Ni2 O8	P 1 21/c 1	27.59; 11.4039; 17.0846 90; 101.68; 90	5264.1	Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides Polymer Chemistry, 2020, 11, 3225-3236
1557913	CIF	C65 H80 Cl2 N10 Ni2 O6	P -1	13.8204; 14.046; 17.8074 98.3638; 99.7094; 99.0951	3311.4	Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides Polymer Chemistry, 2020, 11, 3225-3236
1557914	CIF	C52 H76 N8 Ni2 O8	P 1 21/c 1	16.442; 28.884; 11.4674 90; 108.553; 90	5163	Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides Polymer Chemistry, 2020, 11, 3225-3236
1557915	CIF	C55 H84 N8 Ni2 O10	P 1 21/c 1	13.3819; 22.5315; 19.0121 90; 95.058; 90	5710.1	Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides Polymer Chemistry, 2020, 11, 3225-3236
1557916	CIF	C20 H30 O3	P 21 21 21	9.0597; 9.4554; 21.1518 90; 90; 90	1811.93	Liu, Ya-Pei; Dai, Quan; Wang, Wen-Xuan; He, Juan; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai Psathyrins: Antibacterial Diterpenoids from <i>Psathyrella candolleana</i>. Journal of natural products, 2020
1557917	CIF	C207.72 H199.72 N8 O16	P -1	14.6569; 15.3071; 24.9808 89.021; 79.724; 74.797	5319.1	Bae, Youn Jue; Zhao, Xingang; Kryzaniak, Matthew D.; Nagashima, Hiroki; Strzalka, Joseph; Zhang, Qingteng; Wasielewski, Michael R. Spin Dynamics of Quintet and Triplet States Resulting from Singlet Fission in Oriented Terrylenediimide and Quaterrylenediimide Films The Journal of Physical Chemistry C, 2020
1557921	CIF	C70 H86 N12 O16	P 1 21 1	12.6264; 21.0187; 15.1875 90; 104.475; 90	3902.67	Yang, Zhijie; Sun, Changli; Liu, Zhiyong; Liu, Qing; Zhang, Tianyu; Ju, Jianhua; Ma, Junying Production of Antitubercular Depsipeptides via Biosynthetic Engineering of Cinnamoyl Units Journal of Natural Products, 2020
1557922	CIF	C72 H88 N12 O16	P 1 21 1	12.5668; 20.9262; 15.2207 90; 103.722; 90	3888.43	Yang, Zhijie; Sun, Changli; Liu, Zhiyong; Liu, Qing; Zhang, Tianyu; Ju, Jianhua; Ma, Junying Production of Antitubercular Depsipeptides via Biosynthetic Engineering of Cinnamoyl Units Journal of Natural Products, 2020
1557923	CIF	C44 H30	P -1	9.9378; 9.9882; 17.7699 93.791; 94.905; 98.931	1730.4	Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc Expedient synthesis of conjugated triynes via alkyne metathesis Chemical Science, 2020, 11, 4934-4938
1557924	CIF	C43 H31 Cl3 Si2	P 1 21/n 1	10.4193; 21.2154; 17.2115 90; 99.801; 90	3749.1	Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc Expedient synthesis of conjugated triynes via alkyne metathesis Chemical Science, 2020, 11, 4934-4938
1557925	CIF	C34 H36 Si	P -1	8.5423; 10.4335; 16.821 76.313; 77.803; 83.761	1421	Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc Expedient synthesis of conjugated triynes via alkyne metathesis Chemical Science, 2020, 11, 4934-4938
1557926	CIF	C34 H26	P -1	8.5611; 10.3957; 14.5334 94.453; 104.612; 98.456	1229.1	Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc Expedient synthesis of conjugated triynes via alkyne metathesis Chemical Science, 2020, 11, 4934-4938
1557927	CIF	C14 H14	P -1	7.5855; 8.3989; 17.377 90.902; 91.564; 91.339	1106.2	Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc Expedient synthesis of conjugated triynes via alkyne metathesis Chemical Science, 2020, 11, 4934-4938
1557928	CIF	C24 H18	P 21 21 21	9.3055; 10.3538; 18.151 90; 90; 90	1748.8	Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc Expedient synthesis of conjugated triynes via alkyne metathesis Chemical Science, 2020, 11, 4934-4938
1557937	CIF	C20 H27 N3 O3 S2	P 21 21 21	9.8333; 10.2552; 20.877 90; 90; 90	2105.29	Zhai, Yi-Jie; Huo, Guang-Ming; Zhang, Qiang; Li, Ding; Wang, Da-Cheng; Qi, Jian-Zhao; Han, Wen-Bo; Gao, Jin-Ming Phaeosphaones: Tyrosinase Inhibitory Thiodiketopiperazines from an Endophytic Phaeosphaeria fuckelii Journal of Natural Products, 2020
1557938	CIF	C17 H19 N3 O3 S2	P 1 21 1	6.2397; 10.6635; 12.6809 90; 93.931; 90	841.76	Zhai, Yi-Jie; Huo, Guang-Ming; Zhang, Qiang; Li, Ding; Wang, Da-Cheng; Qi, Jian-Zhao; Han, Wen-Bo; Gao, Jin-Ming Phaeosphaones: Tyrosinase Inhibitory Thiodiketopiperazines from an Endophytic Phaeosphaeria fuckelii Journal of Natural Products, 2020
1557943	CIF	C24 H14 F24 O10 Th	C 1 2/c 1	12.8993; 15.9751; 17.3394 90; 97.371; 90	3543.6	Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G. Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework Chemical Science, 2020, 11, 4648-4668
1557944	CIF	C20 H4 F24 O8 U	I 41/a :2	17.4457; 17.4457; 29.8629 90; 90; 90	9088.8	Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G. Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework Chemical Science, 2020, 11, 4648-4668
1557951	CIF	C15 H20 O6	P 1 21 1	4.7673; 9.5601; 31.386 90; 92.31; 90	1429.3	Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B. Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures. Soft matter, 2020, 16, 4640-4654
1557952	CIF	C14 H20 O8	P 1 21 1	8.92283; 4.60123; 17.4539 90; 92.9088; 90	715.66	Dizon, Glenieliz C.; Atkinson, George; Argent, Stephen P.; Santu, Lea T.; Amabilino, David B. Sustainable sorbitol-derived compounds for gelation of the full range of ethanol-water mixtures. Soft matter, 2020, 16, 4640-4654
1557955	CIF	C87 H77.33 F6 N12 O23.67 Ru3	R -3 :H	23.4927; 23.4927; 32.5166 90; 90; 120	15541.8	Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation Chemical Science, 2020, 11, 7654-7664
1557956	CIF	C84 H48 F6 N12 O12 Ru3	P -1	15.9552; 18.9386; 21.0317 65.145; 87.292; 76.631	5601.2	Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation Chemical Science, 2020, 11, 7654-7664
1557959	CIF	C12 H20 N Na O10 S	P n a 21	7.2106; 35.399; 7.0277 90; 90; 90	1793.8	Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A. Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer. Bioconjugate chemistry, 2020
1557960	CIF	C12 H12 N2 Na O8.5 S	P -1	7.8456; 11.4365; 17.3203 85.3061; 88.1049; 72.1013	1473.86	Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A. Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer. Bioconjugate chemistry, 2020
1557961	CIF	C28.5 H20 Cl N O2	P -1	11.6036; 12.4468; 14.8235 83.0917; 83.3753; 89.1925	2111.19	Richardson, Mark B.; Gabriel, Kristin Nichelle; Garcia, Joseph; Ashby, Shareen; Dyer, Rebekah; Kim, Joshua; Lau, Calvin; Hong, John; Le Tourneau, Ryan J.; Sen, Sanjana; Narel, David; Katz, Benjamin B.; Ziller, Joseph W.; Majumdar, Sudipta; Collins, Philip G.; Weiss, Gregory A. Pyrocinchonimides Conjugate to Amine Groups on Proteins via Imide Transfer. Bioconjugate chemistry, 2020
1557965	CIF	C25 H41 Cl N O Sc Si	P 1 21/c 1	14.8573; 8.7978; 20.6966 90; 101.128; 90	2654.4	Wang, Yang; Zhou, Chulu; Cheng, Jianhua Binuclear Scandium Initiators for the Syndiospecific Triblock Copolymerization of Styrene with ε-Caprolactone Macromolecules, 2020
1557966	CIF	C50 H80 Cl2 N2 O2 Sc2 Si2	P -1	11.2926; 14.8104; 16.26 79.75; 89.746; 77.906	2615.1	Wang, Yang; Zhou, Chulu; Cheng, Jianhua Binuclear Scandium Initiators for the Syndiospecific Triblock Copolymerization of Styrene with ε-Caprolactone Macromolecules, 2020
1557967	CIF	C32 H52 Li2 N2 O4	P 1 21/c 1	9.0773; 20.9604; 9.2929 90; 112.088; 90	1638.34	Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents. Chemical science, 2020, 11, 6500-6509
1557968	CIF	C30 H36 Li2 N6 O2	P 1 21/n 1	9.7406; 10.9189; 14.1465 90; 107.012; 90	1438.74	Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents. Chemical science, 2020, 11, 6500-6509
1557969	CIF	C44 H60 Li2 N2 O4	P 1 21 1	10.2268; 19.0435; 10.7658 90; 102.453; 90	2047.36	Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents. Chemical science, 2020, 11, 6500-6509
1557970	CIF	C42 H42 Li2 N4 O2	P -1	9.5878; 9.9347; 9.9435 105.659; 94.885; 95.34	902	Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents. Chemical science, 2020, 11, 6500-6509
1557971	CIF	C17 H17 F6 N2 P	P 1 21/n 1	6.8004; 11.9948; 21.5 90; 95.373; 90	1746	Zhang, Ruoyao; Niu, Guangle; Lu, Qing; Huang, Xiaolin; Chau, Joe H. C.; Kwok, Ryan T. K.; Yu, Xiaoqiang; Li, Min-Hui; Lam, Jacky W. Y.; Tang, Ben Zhong Cancer cell discrimination and dynamic viability monitoring through wash-free bioimaging using AIEgens Chemical Science, 2020, 11, 7676-7684
1557972	CIF	C26 H19 N O S	P 1 21 1	9.8666; 9.9949; 11.3565 90; 114.722; 90	1017.3	Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V. Palladium-catalysed 5-endo-trig allylic (hetero)arylation Chemical Science, 2020, 11, 4948-4953
1557973	CIF	C18 H20 S	P 1 21/c 1	10.0379; 9.5393; 16.2242 90; 104.646; 90	1503.1	Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V. Palladium-catalysed 5-endo-trig allylic (hetero)arylation Chemical Science, 2020, 11, 4948-4953
1557975	CIF	C44 H84 Ag10 Mo12 N10 O38 S6	P -1	11.30672; 15.29988; 15.58799 63.3059; 87.7117; 83.0788	2391.32	Li, Ya-Hui; Wang, Zhao-Yang; Ma, Bing; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W. Self-assembly of thiolate-protected silver coordination polymers regulated by POMs. Nanoscale, 2020, 12, 10944-10948
1557976	CIF	C62 H129 Ag18 Mo18 N7 O57 S12	P b c n	27.3167; 19.80926; 27.71777 90; 90; 90	14998.7	Li, Ya-Hui; Wang, Zhao-Yang; Ma, Bing; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W. Self-assembly of thiolate-protected silver coordination polymers regulated by POMs. Nanoscale, 2020, 12, 10944-10948
1557980	CIF HKL Paper	C16 H16 N2	I -4	13.93535; 13.93535; 13.1629 90; 90; 90	2556.16	Crundwell, Guy; Leeds, Ashley 2,3-Diethylbenzo[<i>g</i>]quinoxaline IUCrData, 2020, 5, x200454
1557981	CIF	C52 H40 N2	P -1	6.383; 12.498; 12.814 68.718; 86.988; 81.397	942	Zhang, Yang; Yu, Fan; Li, Pei; Xu, Mengli; Xu, Guoyong; Li, Weimin; Wang, Fuzhou 2,4,6-Triphenyl-<i>N</i>-{(3<i>E</i>)-3-[(2,4,6-triphenylphenyl)imino]butan-2-ylidene}aniline IUCrData, 2020, 5, x200531
1557983	CIF	C23 H33 Br Ir N3 O	P 1 21/c 1	8.5663; 11.0966; 24.1272 90; 98.595; 90	2267.7	González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines Catalysis Science & Technology, 2020, 10, 3458-3467
1557984	CIF	C17 H21 Br Ir N3 O3	P -1	9.2294; 11.1211; 11.892 99.157; 110.946; 114.394	968.3	González-Lainez, Miguel; Jiménez, M. Victoria; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. Effective N-methylation of nitroarenes with methanol catalyzed by a functionalized NHC-based iridium catalyst: a green approach to N-methyl amines Catalysis Science & Technology, 2020, 10, 3458-3467
1557987	CIF	C33 H48 I N4 O P Pt	P c c n	24.4749; 22.6183; 12.7406 90; 90; 90	7052.9	Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R. Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes Chemical Science, 2020, 11, 5494-5502
1557988	CIF	C26 H39 Cl2 Cu2 N4 O P Pt	P 1 21/c 1	12.7739; 8.98822; 27.115 90; 100.703; 90	3059.04	Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R. Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes Chemical Science, 2020, 11, 5494-5502
1557989	CIF	C50 H70 N8 O2 P2 Pt2	I 41/a :2	20.4659; 20.4659; 27.7779 90; 90; 90	11634.9	Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R. Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes Chemical Science, 2020, 11, 5494-5502
1557990	CIF	C42 H59 B Cu F4 N4 O4 P Pt	P -1	11.34455; 12.7555; 15.58801 97.0654; 96.2303; 94.2103	2216.7	Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R. Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes Chemical Science, 2020, 11, 5494-5502
1557991	CIF	C30 H47 B Cu F4 N4 O2 P Pt	P 1 21/c 1	9.1729; 30.0139; 12.3335 90; 90.445; 90	3395.5	Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R. Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes Chemical Science, 2020, 11, 5494-5502
1557992	CIF	C28.33 H43.67 Cu N4 O1.33 P Pt	P 1 21/c 1	9.1454; 34.4731; 28.8368 90; 90.3193; 90	9091.2	Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R. Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes Chemical Science, 2020, 11, 5494-5502
1557993	CIF	C58 H51 B Cu F24 N4 O P Pt	P 1 21/c 1	14.66021; 16.24537; 26.9484 90; 103.68; 90	6235.97	Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R. Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes Chemical Science, 2020, 11, 5494-5502
1557994	CIF	C65 H51 B Cu F30 N4 O P Pt	P 1 21/c 1	20.7797; 19.37993; 17.2379 90; 105.44; 90	6691.33	Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R. Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes Chemical Science, 2020, 11, 5494-5502
1557996	CIF	C7 H9 N O	P 1 21/c 1	4.0767; 15.8073; 10.3549 90; 99.786; 90	657.58	Van Den Broeck, Elias; Verbraeken, Bart; Dedecker, Karen; Cnudde, Pieter; Vanduyfhuys, Louis; Verstraelen, Toon; Van Hecke, Kristof; Jerca, Valentin Victor; Catak, Saron; Hoogenboom, Richard; Van Speybroeck, Veronique Cation−π Interactions Accelerate the Living Cationic Ring-Opening Polymerization of Unsaturated 2-Alkyl-2-oxazolines Macromolecules, 2020, 53, 3832-3846
1557997	CIF	C21 H18	P 1 21/c 1	7.2298; 10.3241; 19.9155 90; 91.2503; 90	1486.16	Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides Chemical Science, 2020, 11, 5267-5272
1557998	CIF	C24 H25 N O	P 1 21/n 1	11.9769; 5.9444; 26.845 90; 92.8945; 90	1908.8	Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides Chemical Science, 2020, 11, 5267-5272
1557999	CIF	C31 H37 Br N O2 Si	P 1 21/c 1	19.002; 8.3505; 18.6504 90; 106.546; 90	2836.83	Eichenberger, Sarah; Hönig, Moritz; Richter, Matthieu J. R.; Gershoni-Poranne, Renana; Carreira, Erick M. Ring-fused cyclobutanes via cycloisomerization of alkylidenecyclopropane acylsilanes Chemical Science, 2020, 11, 5294-5298
1558000	CIF	C17 H11 N3	P 1 21/c 1	23.232; 7.4413; 15.361 90; 106.818; 90	2542	AYARI, Sami; HIRABAYASHI, Kazunori; SHIMIZU, Toshio; JAMOUSSI, Bassem; SAGLAM, Mehmet F.; ATILLA, Devrim; SUGIURA, Ken-ichi Crystal Structure of 3-(3-Methyl-1<i>H</i>-indole-1-yl)phthalonitrile X-ray Structure Analysis Online, 2020, 36, 11-13
1558001	CIF	C204 H288 Cl2 Mn12 N10 O40	P -1	16.144; 19.437; 22.33 110.119; 104.06; 90.752	6346	Coletta, Marco; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J. A Brucite-Like Mixed-Valent Cluster Capped by [MnIIIp-tBu-calix[4]arene]− Moieties Chemistry, 2020, 2, 253-261
1558002	CIF	C12 H10 O3 S2	C 1 2/c 1	30.24; 3.9413; 20.418 90; 107.77; 90	2317.4	Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds Inorganics, 2020, 8, 27
1558003	CIF	C72 H74 K2 N2 Ni4 O14 S12	P 1 21/n 1	13.588; 19.062; 16.764 90; 100.11; 90	4274.7	Ahmadi, Mohsen; Correia, Jevy; Chrysochos, Nicolas; Schulzke, Carola A Mixed-Valence Tetra-Nuclear Nickel Dithiolene Complex: Synthesis, Crystal Structure, and the Lability of Its Nickel Sulfur Bonds Inorganics, 2020, 8, 27
1558004	CIF	Al0.6 Ca2 Cr1.92 H3.48 Mg0.48 O14 Si3	C 1 2/m 1	19.2436; 5.9999; 8.8316 90; 97.833; 90	1010.18	Lykova, Inna; Varlamov, Dmitry; Chukanov, Nikita; Pekov, Igor; Belakovskiy, Dmitry; Ivanov, Oleg; Zubkova, Natalia; Britvin, Sergey Chromium Members of the Pumpellyite Group: Shuiskite-(Cr), Ca2CrCr2[SiO4][Si2O6(OH)](OH)2O, a New Mineral, and Shuiskite-(Mg), a New Species Name for Shuiskite Minerals, 2020, 10, 390
1558005	CIF	C25 H34 O6	P 1 21 1	15.7937; 7.4944; 20.8812 90; 97.436; 90	2450.8	Kanno, Yuichiro; Kusakabe, Taichi; Saito, Nao; Kikkawa, Shoko; Takahashi, Keisuke; Azumaya, Isao; Nemoto, Kiyomitsu; Kato, Keisuke Improved Synthesis and Determination of the Biologically Active Diastereomer of YK11 Molbank, 2020, 2020, M1125
1558006	CIF	C13 H17 N O3 S2	P 1 21/n 1	4.7803; 25.1943; 11.434 90; 92.369; 90	1375.89	Aitken, R. Alan; Fotherby, Fiona M.; Slawin, Alexandra M. Z. 2,6-exo-8,12-exo-10-Butyl-13-oxa-3,5-dithia-10-azatetracyclo[5.5.1.02,6.08,12]tridecane-9,11-dione Molbank, 2020, 2020, M1123
1558007	CIF	C22 H32 O6	P 21 21 21	9.2448; 10.1376; 22.4575 90; 90; 90	2104.72	Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun <i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source. Journal of natural products, 2020, 83, 1641-1645
1558008	CIF	C22 H34 O6	P 21 21 21	9.2746; 10.2656; 22.5834 90; 90; 90	2150.15	Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun <i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source. Journal of natural products, 2020, 83, 1641-1645
1558009	CIF	C12 H14 Br N3 O2	P 1 21/n 1	17.4894; 7.242; 20.4992 90; 106.179; 90	2493.56	Bolotin, Dmitrii S.; Il’in, Mikhail V.; Suslonov, Vitalii V.; Novikov, Alexander S. Symmetrical Noncovalent Interactions Br···Br Observed in Crystal Structure of Exotic Primary Peroxide Symmetry, 2020, 12, 637
1558010	CIF	C31 H20	P 1 21/c 1	13.3029; 9.8247; 16.8935 90; 110.005; 90	2074.7	Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes Chemical Science, 2020, 11, 4887-4894
1558011	CIF	C37 H24	P 1 21/a 1	16.6398; 9.562; 16.8786 90; 106.273; 90	2578	Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes Chemical Science, 2020, 11, 4887-4894
1558012	CIF	C43 H28	P 1 21/c 1	11.2023; 18.671; 14.855 90; 108.22; 90	2951.3	Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes Chemical Science, 2020, 11, 4887-4894
1558013	CIF	Be4 H51 I2 N19	P 3	9.7756; 9.7756; 8.7186 90; 90; 120	721.55	Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science, 2020, 11, 5415-5422
1558014	CIF	Be4 H42 N22	C 1 2/c 1	13.4543; 10.5289; 16.9967 90; 111.134; 90	2245.79	Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science, 2020, 11, 5415-5422
1558015	CIF	Be4 Br2 H36 N14	P 3	14.2177; 14.2177; 8.56 90; 90; 120	1498.5	Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science, 2020, 11, 5415-5422
1558016	CIF	Be4 Cl2 H36 N14	P 3	13.9342; 13.9342; 8.3727 90; 90; 120	1407.86	Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science, 2020, 11, 5415-5422
1558017	CIF	Be4 H42 I2 N16	C 1 2/c 1	14.0852; 10.1719; 18.4646 90; 112.217; 90	2449.08	Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science, 2020, 11, 5415-5422
1558018	CIF	C2 H33 Be4 N15 S2	P 1 21/c 1	9.9563; 8.5843; 24.7099 90; 97.454; 90	2094.06	Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science, 2020, 11, 5415-5422
1558019	CIF	C8 H16 Be N6	P 42 21 2	9.9478; 9.9478; 5.4077 90; 90; 90	535.14	Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science, 2020, 11, 5415-5422
1558020	CIF	C2 H36 Be4 N16	P 3	14.1334; 14.1334; 8.5563 90; 90; 120	1480.16	Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science, 2020, 11, 5415-5422
1558021	CIF	C20 H44 Be8 I2 N16 O	C c c m	20.1994; 21.2118; 23.3361 90; 90; 90	9998.72	Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters Chemical Science, 2020, 11, 5415-5422
1558022	CIF	C15 H19 N O6 S	P b c a	13.3705; 7.2739; 31.8622 90; 90; 90	3098.78	Wu, Xiao-Yun; Gui, Hou-Ze; Jangra, Harish; Wei, Yin; Zipse, Hendrik; Shi, Min Phosphine-catalyzed [3 + 2] annulation of 2-aminoacrylates with allenoates and mechanistic studies Catalysis Science & Technology, 2020, 10, 3959-3964
1558023	CIF	C5 H8 O5	P 1 21/c 1	9.8512; 5.7699; 11.7734 90; 102.85; 90	652.45	Vil', Vera A.; Barsegyan, Yana A.; Kuhn, Leah; Ekimova, Maria V.; Semenov, Egor A.; Korlyukov, Alexander A.; Terent'ev, Alexander O.; Alabugin, Igor V. Synthesis of unstrained Criegee intermediates: inverse α-effect and other protective stereoelectronic forces can stop Baeyer‒Villiger rearrangement of γ-hydroperoxy-γ-peroxylactones Chemical Science, 2020, 11, 5313-5322
1558024	CIF	C126 H53 Dy2 N4 Ni S2	P 1 21/c 1	17.7314; 17.0501; 26.7696 90; 106.599; 90	7755.79	Wang, Yuanyuan; Xiong, Jin; Su, Jie; Hu, Ziqi; Ma, Fang; Sun, Rong; Tan, Xueyou; Sun, Hao-Ling; Wang, Bing-Wu; Shi, Zujin; Gao, Song Dy<sub>2</sub>@C<sub>79</sub>N: a new member of dimetalloazafullerenes with strong single molecular magnetism. Nanoscale, 2020, 12, 11130-11135
1558025	CIF	C32 H318 K8 N16 Na6 O402 Pr8 Te8 W88	I 41/a :2	38.5523; 38.5523; 29.1596 90; 90; 90	43339.3	Zhang, Yan; Jiang, Jun; Liu, Yifan; Li, Pan; Liu, Yong; Chen, Lijuan; Zhao, Junwei Multi-praseodymium-and-tungsten bridging octameric tellurotungstate and its 2D honeycomb composite film for detecting estrogen. Nanoscale, 2020, 12, 10842-10853
1558026	CIF	C31.75 H28 Ag F3 N2 O3.75 P S	P 1 21/n 1	26.6378; 9.0287; 27.648 90; 110.854; 90	6213.9	Rath, Bibhuti Bhusan; Kole, Goutam Kumar; Morris, Samuel Alexander; Vittal, Jagadese J. Rotation of a helical coordination polymer by mechanical grinding. Chemical communications (Cambridge, England), 2020, 56, 6289-6292
1558027	CIF	C24 H20 N4	P 1 21/c 1	10.4634; 8.3919; 10.5935 90; 98.999; 90	918.74	Rath, Bibhuti Bhusan; Kole, Goutam Kumar; Morris, Samuel Alexander; Vittal, Jagadese J. Rotation of a helical coordination polymer by mechanical grinding. Chemical communications (Cambridge, England), 2020, 56, 6289-6292
1558028	CIF	C168 H114 N12 O64 Zr12	I m -3 m	38.649; 38.649; 38.649 90; 90; 90	57732	Zee, David Z.; Harris, T. David Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework. Chemical science, 2020, 11, 5447-5452
1558029	CIF	C168 H108 Cl3 Fe3 N12 O64 Zr12	I m -3 m	38.4891; 38.4891; 38.4891 90; 90; 90	57018	Zee, David Z.; Harris, T. David Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework. Chemical science, 2020, 11, 5447-5452
1558030	CIF	C144 H90 N12 O52 Zr12	I m -3 m	38.8372; 38.8372; 38.8372 90; 90; 90	58579	Zee, David Z.; Harris, T. David Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework. Chemical science, 2020, 11, 5447-5452
1558031	CIF	C13 H14 N4 O	P 41 21 2	7.749; 7.749; 22.032 90; 90; 90	1322.96	Heywood, Victoria L.; Alford, Thomas P. J.; Roeleveld, Julius J.; Lekanne Deprez, Siebe J.; Verhoofstad, Abraham; van der Vlugt, Jarl Ivar; Domingos, Sérgio R.; Schnell, Melanie; Davis, Anthony P.; Mooibroek, Tiddo J. Observations of tetrel bonding between sp3-carbon and THF Chemical Science, 2020, 11, 5289-5293
1558032	CIF	C152 H112 Fe4 N16 O18	P 1 21/c 1	15.7335; 15.6057; 26.314 90; 100.54; 90	6351.9	Amanullah, Sk; Dey, Abhishek The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species. Chemical science, 2020, 11, 5909-5921
1558033	CIF	C90 H74 Cl6 N8 O16 Zn2	P -1	11.301; 13.669; 14.795 92.292; 90.441; 109.916	2146.5	Amanullah, Sk; Dey, Abhishek The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species. Chemical science, 2020, 11, 5909-5921
1558034	CIF	C45 H38 N5 O5 Zn	P n m a	13.344; 21.257; 14.059 90; 90; 90	3987.9	Amanullah, Sk; Dey, Abhishek The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species. Chemical science, 2020, 11, 5909-5921
1558035	CIF HKL Paper	C11 H11 N O5	P -1	4.8774; 9.47; 12.719 106.784; 97.222; 92.444	556.1	Yu, MingChao; Wang, LinLin; Wang, LingYang; Wu, ZhiYong 2-(2-Ethoxy-2-oxoacetamido)benzoic acid IUCrData, 2020, 5, x200603
1558039	CIF	C58 H38 F8 N2 O4	P -1	13.8753; 15.2122; 15.5548 100.549; 116.109; 96.443	2828.4	Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes Macromolecules, 2020, 53, 3806-3813
1558040	CIF	C65 H51 Cl3 F8 N2 O4	P b c a	13.843; 23.5705; 33.4177 90; 90; 90	10903.7	Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes Macromolecules, 2020, 53, 3806-3813
1558041	CIF	C58 H36 Cl2 F8 N2 O4 Ti	P 1 21/n 1	20.1165; 14.3784; 22.1071 90; 90.242; 90	6394.27	Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes Macromolecules, 2020, 53, 3806-3813
1558045	CIF	C23 H22 F9 Fe N10 O9 S3	P -1	9.1084; 11.7267; 16.3308 85.341; 89.88; 70.285	1636.05	Dyckhoff, Florian; Schlagintweit, Jonas F.; Reich, Robert M.; Kühn, Fritz E. Pushing the limits of activity and stability: the effects of Lewis acids on non-heme iron‒NHC epoxidation catalysts Catalysis Science & Technology, 2020, 10, 3532-3536
1558046	CIF	C66 H118 N4 Si10	P -1	13.4808; 14.1304; 20.7309 81.16; 85.017; 77.197	3799.4	Keuter, Jan; Schwermann, Christian; Hepp, Alexander; Bergander, Klaus; Droste, Jörn; Hansen, Michael Ryan; Doltsinis, Nikos L.; Mück-Lichtenfeld, Christian; Lips, Felicitas A highly unsaturated six-vertex amido-substituted silicon cluster. Chemical science, 2020, 11, 5895-5901
1558047	CIF	C40 H35 B F4	P 1 21/c 1	11.9911; 34.2594; 15.9758 90; 107.614; 90	6255.29	Fu, Xiangyu; Han, Han; Zhang, Di; Yu, Han; He, Qilin; Zhao, Dahui A polycyclic aromatic hydrocarbon diradical with pH-responsive magnetic properties. Chemical science, 2020, 11, 5565-5571