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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1558632	CIF	C60 H92 N2 O4	P 1 21/c 1	5.4415; 8.9535; 55.673 90; 90.8823; 90	2712.1	Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W. The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts Chemical Science, 2020
1558633	CIF	C8 H17 N O3	C 1 2/c 1	20.0926; 8.0678; 11.6061 90; 97.064; 90	1867.1	Hall, Amy V.; Yufit, Dimitrii S.; Apperley, D. C.; Senak, Larry; Musa, Osama; Hood, David K.; Steed, Jonathan W. The Crystal Engineering of Radiation-Sensitive Diacetylene Cocrystals and Salts Chemical Science, 2020
1558634	CIF	C240 H168 N12 O38 Pd2	I -4	20.0773; 20.0773; 23.9655 90; 90; 90	9660.4	Tsutsui, Takahiro; Catti, Lorenzo; Yoza, Kenji; Yoshizawa, Michito An Atropisomeric M2L4 Cage Mixture Displaying Guest-Induced Convergence and Strong Guest Emission in Water Chemical Science, 2020
1558635	CIF	Al1.94 B Ca2.025 Fe0.615 H Mg0.08 Mn0.33 O16 Si4	P -1	7.1488; 9.197; 8.9688 91.708; 98.099; 77.201	569.29	Kitahara, D.; Arima, H.; Kawamata, T.; Sugiyama, K.; Mikouchi, T. The location of Mn and Fe in axinite-(Fe) from Nandan, China determined by anomalous X-ray scattering (AXS) Journal of Mineralogical and Petrological Sciences, 2020, 115, 227-235
1558636	CIF	Co0.87 Nb0.1 O2.74 Sn0.03 Sr	P 4/m m m	3.8803; 3.8803; 7.7796 90; 90; 90	117.135	Park, J.H.; Lee, Y.A.; Yu, J.H.; Lee, J.H.; Yoon, H.; Cho, Y.; Yoo, C.-Y. Effects of Nb and Sn co-doping on the structure and properties of SrCoO3-d oxygen transport membranes Journal of Asian Ceramic Societies, 2020, 8, 519-527
1558637	CIF	Co0.85 Nb0.1 O2.76 Sn0.05 Sr	P 4/m m m	3.8875; 3.8875; 7.7906 90; 90; 90	117.737	Park, J.H.; Lee, Y.A.; Yu, J.H.; Lee, J.H.; Yoon, H.; Cho, Y.; Yoo, C.-Y. Effects of Nb and Sn co-doping on the structure and properties of SrCoO3-d oxygen transport membranes Journal of Asian Ceramic Societies, 2020, 8, 519-527
1558638	CIF	C12 H11 N O2	P 1 21/c 1	6.571; 12.434; 12.168 90; 93.376; 90	992.4	Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions Chemical Science, 2020
1558639	CIF	C12 H11 N O2	P 1 21/n 1	9.935; 7.985; 13.41 90; 110.758; 90	994.8	Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions Chemical Science, 2020
1558640	CIF	C18 H13 F3 I N O	P 1 21/n 1	6.0218; 15.569; 17.415 90; 91.278; 90	1632.3	Kuriyama, Masami; Hanazawa, Natsumi; Abe, Yusuke; Katagiri, Kotone; Ono, Shimpei; Yamamoto, Kosuke; Onomura, Osamu N- and O-Arylation of Pyridin-2-ones with Diaryliodonium Salts: Base-Dependent Orthogonal Selectivity under Metal-Free Conditions Chemical Science, 2020
1558641	CIF	C35 H46 Al F N2	P n m a	16.6384; 21.0131; 9.0227 90; 90; 90	3154.56	Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity Chemical Science, 2020
1558642	CIF	C35 H45 Al F2 N2	P n m a	16.641; 21.2084; 8.9762 90; 90; 90	3168	Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity Chemical Science, 2020
1558643	CIF	C35 H45 Al F2 N2	A m a 2	22.3034; 19.6726; 7.40067 90; 90; 90	3247.16	Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity Chemical Science, 2020
1558644	CIF	C35 H44 Al F3 N2	P 1 21/c 1	12.2421; 22.2792; 12.5805 90; 109.551; 90	3233.43	Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity Chemical Science, 2020
1558645	CIF	C29 H33.25 Al F1.75 N2	P n m a	14.5388; 20.1047; 8.9393 90; 90; 90	2612.94	Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity Chemical Science, 2020
1558646	CIF	C45.5 H56 Al F3 N2	A e a 2	25.104; 18.4374; 17.7897 90; 90; 90	8234	Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity Chemical Science, 2020
1558647	CIF	C29 H33.25 Al F1.75 N2	P n m a	14.522; 20.1046; 8.9481 90; 90; 90	2612.48	Rekhroukh, Feriel; Chen, Wenyi; Brown, Ryan; White, Andrew J. P.; Crimmin, Mark Richard Palladium-Catalysed C‒F Alumination of Fluorobenzenes: Mechanistic Diversity and Origin of Selectivity Chemical Science, 2020
1558648	CIF	C86 H80 B2 F40 Fe2 N8 O4	P -1	12.088; 12.625; 16.135 81.857; 89.421; 77.548	2379.7	Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R. Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation Chemical Science, 2020
1558649	CIF	C86 H80 B2 Co2 F40 N8 O4	P -1	12.009; 12.574; 16.141 82.488; 89.864; 77.525	2358.5	Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R. Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation Chemical Science, 2020
1558650	CIF	C90 H90 B2 F40 N8 Ni2 O5	P -1	12.015; 12.54; 16.083 97.774; 90.679; 101.898	2347.4	Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R. Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation Chemical Science, 2020
1558651	CIF	C106 H74 B3 F60 Fe2 N8 O3	P 1 21/c 1	26.788; 22.494; 19.436 90; 110.506; 90	10969	Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R. Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation Chemical Science, 2020
1558652	CIF	C106 H74 B3 F60 N8 Ni2 O3	P 1 21/c 1	26.694; 22.411; 19.45 90; 110.424; 90	10904	Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R. Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation Chemical Science, 2020
1558653	CIF	C106 H74 B3 Co2 F60 N8 O3	P 1 21/c 1	26.75; 22.475; 19.437 90; 110.625; 90	10937	Chakarawet, Khetpakorn; Harris, T. David; Long, Jeffrey R. Semiquinone radical-bridged M2 (M = Fe, Co, Ni) complexes with strong magnetic exchange giving rise to slow magnetic relaxation Chemical Science, 2020
1558654	CIF	C37 H25 N O	C 1 2/c 1	31.8763; 6.7502; 27.2595 90; 114.087; 90	5354.7	Frigoli, Michel; Jousselin-Oba, Tanguy; Mamada, Masashi; Marrot, Jérôme; Zangarelli, Agnese; Pannacci, Danilo; Adachi, Chihaya; Ortica, Fausto Synthesis and photochromic behaviour of a series of benzopyrans bearing an N-phenyl-carbazole moiety: photochromism control by the steric effect. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1344-1355
1558655	CIF	C16 H16 Cl2 Rh2	P 1 21/c 1	10.747; 11.263; 12.692 90; 102.758; 90	1498.4	Tang, Tang; Ahumada, Guillermo; Bielawski, Christopher W. Direct laser writing of poly(phenylene vinylene) on poly(barrelene) Polymer Chemistry, 2020, 11, 5437-5443
1558656	CIF HKL Paper	C8 H12 Cu3 N5	C 1 2 1	12.6825; 8.3355; 7.2205 90; 120.444; 90	658.07	Corfield, Peter W. R.; Stavola, Thomas James Poly[diethylammonium [tetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-tricuprate(I)]], a two-dimensional network solid IUCrData, 2020, 5, x200968
1558657	CIF HKL Paper	C31 H26 Cl2 N2 O	P -1	9.8084; 11.6806; 12.0754 77.474; 85.686; 80.742	1331.8	Shraddha, K. N.; Begum, Noor Shahina 2-[1-(4-<i>tert</i>-Butylphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-2-yl]-4,6-dichlorophenol IUCrData, 2020, 5, x200870
1558658	CIF HKL Paper	C25 H29 Cl N2 O7	P 21 21 21	9.2324; 11.1656; 23.3497 90; 90; 90	2407.01	Outahar, Fatima; Moumou, Mohamed; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate IUCrData, 2020, 5, x200945
1558659	CIF	C23 H20 O	P 1 21 1	11.8749; 6.1545; 12.1392 90; 105.369; 90	855.46	Yuan, Yuan; Zhang, Xue; Qian, Hui; Ma, Shengming Catalytic enantioselective allene-anhydride approach to β,γ-unsaturated enones bearing an α-all-carbon-quaternary center Chemical Science, 2020
1558660	CIF	C46 H32 N2 O2	P -1	9.8823; 11.2269; 15.424 100.041; 90.517; 102.779	1641.3	Goto, Masahide; Yajima, Tatsuo; Minami, Masaki; Sogawa, Hiromitsu; Sanda, Fumio Synthesis and Cross-Linking of a Benzoxazine-Containing Anthracene Moiety: Thermally Stable Photoluminescent Benzoxazine Resin Macromolecules, 2020
1558661	CIF	C23 H34 O4	P 1	10.715; 11.6367; 14.6771 110.288; 110.241; 91.134	1590.1	Chen, Ming; Wang, Wen-Jing; Li, Ni-Ping; Zeng, Hu-Hu; Guo, Hong; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai Myrcaulones A–C, Unusual Rearranged Triketone–Terpene Adducts from Myrciaria cauliflora Journal of Natural Products, 2020
1558662	CIF	C22 H32 O4	P 21 21 21	6.0857; 16.6326; 19.5442 90; 90; 90	1978.28	Chen, Ming; Wang, Wen-Jing; Li, Ni-Ping; Zeng, Hu-Hu; Guo, Hong; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai Myrcaulones A–C, Unusual Rearranged Triketone–Terpene Adducts from Myrciaria cauliflora Journal of Natural Products, 2020
1558663	CIF	C22 H28 O	P -1	6.1587; 9.3173; 15.993 96.1247; 90.4111; 99.2413	900.36	Liu, Lei; Lee, Wes; Youshaw, Cassandra R.; Yuan, Mingbin; Geherty, Michael B.; Zavalij, Peter Y.; gutierrez, osvaldo Fe-Catalyzed Three-Component Dicarbofunctionalization of Unactivated Alkenes with Alkyl Halides and Grignard Reagents Chemical Science, 2020
1558664	CIF	C45 H45 N5 O2	P 1 21/n 1	12.9243; 16.0575; 18.3402 90; 103.636; 90	3698.89	Heo, Nam Jung; Sessler, Jonathan L.; Ko, Byoung Joon; Kim, Sung Kuk; Yang, Ju Ho; Lynch, Vincent Capture and displacement-based release of the bicarbonate anion by calix[4]pyrroles with small rigid straps Chemical Science, 2020
1558665	CIF	C54 H65 N6 O5	P 41 21 2	15.3125; 15.3125; 23.868 90; 90; 90	5596.39	Heo, Nam Jung; Sessler, Jonathan L.; Ko, Byoung Joon; Kim, Sung Kuk; Yang, Ju Ho; Lynch, Vincent Capture and displacement-based release of the bicarbonate anion by calix[4]pyrroles with small rigid straps Chemical Science, 2020
1558666	CIF HKL Paper	C15 H12.5 Cu I N2.5	P -1	7.9004; 10.426; 10.5078 99.903; 104.93; 110.061	752.55	Hoffman, Jessica L.; Akhigbe, Jessie E.; Reinheimer, Eric W.; Smucker, Bradley W. Poly[[[μ-<i>trans</i>-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']-μ-iodido-copper(I)]‒<i>trans</i>-1,2-bis(pyridin-4-yl)ethene (1/0.25)] IUCrData, 2020, 5, x200998
1558667	CIF	C24.38 H28.5 F1.5 N3 O5.62	P 31 2 1	20.704; 20.704; 13.5643 90; 90; 120	5035.4	Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development, 2020
1558668	CIF	C32.33 H39 F2 N5.67 O7	P 21 21 21	12.805; 23.973; 32.637 90; 90; 90	10019	Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development, 2020
1558669	CIF	C24.75 H29.25 F1.5 N3 O5.62	P 31 2 1	20.7; 20.7; 13.6652 90; 90; 120	5070.9	Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification Organic Process Research & Development, 2020
1558670	CIF	C20 H33 F2 N O4	P 1	8.6196; 10.2451; 12.2006 106.432; 94.759; 90.868	1029.01	Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly Organic Process Research & Development, 2020
1558671	CIF	C20 H33 F2 N O4	P 1	9.4358; 10.0861; 11.3101 94.68; 91.031; 97.524	1063.11	Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly Organic Process Research & Development, 2020
1558672	CIF	C20 H33 F2 N O4	P 1	8.6295; 10.2499; 12.1993 106.366; 94.675; 90.873	1031.06	Hill, David R.; Abrahamson, Michael J.; Lukin, Kirill A.; Towne, Timothy B.; Engstrom, Kenneth M.; Reddy, Rajarathnam E.; Kielbus, Angelica B.; Pelc, Matthew J.; Mei, Jianzhang; Nere, Nandkishor K.; Chen, Shuang; Henry, Rodger; Chemburkar, Sanjay; Ding, Chen; Zhang, Hongqiang; Cink, Russell D. Development of a Large-Scale Route to Glecaprevir: Synthesis of the Side Chain and Final Assembly Organic Process Research & Development, 2020
1558673	CIF	C25 H18	P 1 21/n 1	7.9704; 5.7466; 36.314 90; 95.924; 90	1654.4	Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science, 2020
1558674	CIF	C24 H16 O2 S	P 1 21/n 1	9.362; 9.511; 20.202 90; 99.403; 90	1774.7	Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science, 2020
1558675	CIF	C12 H8 O2 S	C 1 2/c 1	10.1221; 13.8377; 7.1345 90; 91.65; 90	998.89	Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science, 2020
1558676	CIF	C60 H52	P -1	8.3173; 9.6055; 13.2 100.545; 92.275; 90.001	1035.9	Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science, 2020
1558677	CIF	C31 H30	P -1	8.5024; 11.1377; 26.18 83.462; 84.924; 89.341	2453.4	Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science, 2020
1558678	CIF	C15 H14	I 41/a :2	21.5488; 21.5488; 9.6725 90; 90; 90	4491.4	Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science, 2020
1558679	CIF	C24 H14 O4 S2	P -1	7.3833; 8.4946; 15.02 94.371; 93.59; 90.853	937.3	Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science, 2020
1558680	CIF	C30 H28 O2 S	I 1 a 1	15.642; 17.335; 18.046 90; 98.641; 90	4837.7	Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science, 2020
1558681	CIF	C45 H38	P 1 21/c 1	19.5956; 22.8016; 16.5804 90; 109.79; 90	6970.8	Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science, 2020
1558682	CIF	C36 H20 O6 S3	P -1	7.6704; 16.878; 23.693 71.258; 84.16; 78.786	2846.7	Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science, 2020
1558683	CIF	C32 H24 N6 Ni O2	P -1	5.4118; 15.0266; 15.9498 91.13; 96.791; 92.639	1286.17	Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate Polymer Chemistry, 2020, 11, 5542-5547
1558684	CIF	C40 H44 N6 Ni O2	P -1	6.3174; 10.7495; 12.7292 74.886; 79.406; 89.242	819.75	Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate Polymer Chemistry, 2020, 11, 5542-5547
1558685	CIF	C44 H32 N6 Ni O2	P 1 21 1	9.8938; 19.286; 10.6047 90; 116.982; 90	1803.2	Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate Polymer Chemistry, 2020, 11, 5542-5547
1558686	CIF	C52 H52 N6 Ni O2	P -1	11.1027; 12.8123; 16.5909 68.334; 89.593; 74.963	2107.87	Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate Polymer Chemistry, 2020, 11, 5542-5547
1558687	CIF HKL Paper	C19 H24 O5	P 1 21/c 1	13.1494; 9.6899; 14.8185 90; 113.295; 90	1734.2	Detert, Heiner; Kluge, Laura; Schollmeyer, Dieter Methyl 3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2<i>H</i>-xanthene-9-carboxylate IUCrData, 2020, 5, x201018
1558688	CIF HKL Paper	C8 H6 N6 Pt S4	P 1 21/c 1	6.1778; 7.77; 14.8862 90; 95.935; 90	710.73	Siddiqui, Mahaa J.; Nesterov, Volodymyr V.; Steidle, Matthew T.; Smucker, Bradley W. <i>trans</i>-Diamminebis(1,2-dicyanoethene-1,2-dithiolato)platinum(IV) IUCrData, 2020, 5, x200980
1558689	CIF	C37 H51 N3 O12	P 1 21 1	10.9445; 7.3353; 23.495 90; 96.25; 90	1875	Andreeva, Olga V.; Garifullin, Bulat F.; Sharipova, Radmila R.; Strobykina, Irina Yu.; Sapunova, Anastasiya S.; Voloshina, Alexandra D.; Belenok, Mayya G.; Dobrynin, Alexey B.; Khabibulina, Leysan R.; Kataev, Vladimir E. Glycosides and Glycoconjugates of the Diterpenoid Isosteviol with a 1,2,3-Triazolyl Moiety: Synthesis and Cytotoxicity Evaluation Journal of Natural Products, 2020
1558690	CIF	C22 H35 N3 O2	P 1 21 1	11.5347; 8.1076; 11.9342 90; 112.133; 90	1033.8	Andreeva, Olga V.; Garifullin, Bulat F.; Sharipova, Radmila R.; Strobykina, Irina Yu.; Sapunova, Anastasiya S.; Voloshina, Alexandra D.; Belenok, Mayya G.; Dobrynin, Alexey B.; Khabibulina, Leysan R.; Kataev, Vladimir E. Glycosides and Glycoconjugates of the Diterpenoid Isosteviol with a 1,2,3-Triazolyl Moiety: Synthesis and Cytotoxicity Evaluation Journal of Natural Products, 2020
1558691	CIF	C30 H38 N2 O4 S2	P 1 21 1	9.5202; 14.868; 10.981 90; 113.499; 90	1425.4	Walia, Manish; Teijaro, Christiana N.; Gardner, Alex; Tran, Thi; Kang, Jinfeng; Zhao, Senzhi; O’Connor, Sarah E.; Courdavault, Vincent; Andrade, Rodrigo B. Synthesis of (−)-Melodinine K: A Case Study of Efficiency in Natural Product Synthesis Journal of Natural Products, 2020
1558692	CIF	C22 H22 N4 O3	P 1 21/c 1	9.521; 19.764; 10.8022 90; 103.759; 90	1974.4	Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1211-1221
1558693	CIF	C25 H23 N5 O3	P -1	9.6779; 10.4548; 12.1262 112.874; 91.882; 103.594	1088.16	Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1211-1221
1558694	CIF	C26 H24 N4 O3	P -1	9.5658; 10.6286; 12.2495 113.08; 91.151; 103.715	1104.1	Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1211-1221
1558695	CIF	C33 H60 Br1.24 Cl0.76 N2 O	P 1 21/c 1	6.7054; 40.6996; 12.4989 90; 93.864; 90	3403.28	Chen, Xi; Spiering, Glenn A.; Slebodnick, Carla; Long, Timothy E.; Moore, Robert B. Deciphering the 3D Microstructures of a Doubly Charged Homopolymer through a Complementary Correlation of Monomer Crystallography and Polymer Powder X-ray Diffraction Macromolecules, 2020
1558696	CIF	C30 H47 Cl Ir N	P 1 21/c 1	10.1037; 11.6662; 23.623 90; 97.789; 90	2758.8	Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex Catalysis Science & Technology, 2020, 10, 6045-6049
1558697	CIF	C24 H35 Cl I0 Ir N O2	P 1 21/n 1	9.4294; 15.2306; 16.4958 90; 94.904; 90	2360.38	Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex Catalysis Science & Technology, 2020, 10, 6045-6049
1558698	CIF	C18 H16 Cu N2 O4	R -3 :H	26.038; 26.038; 7.7843 90; 90; 120	4570.5	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558699	CIF	C18 H16 Cu N2 O4	R -3 :H	26.025; 26.025; 7.7498 90; 90; 120	4545.7	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558700	CIF	C18 H16 Cu N2 O4	R -3 :H	26.453; 26.453; 7.7499 90; 90; 120	4696.5	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558701	CIF	C18 H16 Cu N2 O4	R -3 :H	25.4451; 25.4451; 7.7312 90; 90; 120	4335	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558702	CIF	C18 H16 Cu N2 O4	R -3 :H	25.1855; 25.1855; 7.73 90; 90; 120	4246.3	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558703	CIF	C18 H16 Cu N2 O4	R -3 :H	24.8906; 24.8906; 7.757 90; 90; 120	4161.9	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558704	CIF	C18 H16 Cu N2 O4	R -3 :H	26.594; 26.594; 7.7475 90; 90; 120	4745.3	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558705	CIF	C36 H32 Cu2 N4 O8	R -3 :H	49.169; 49.169; 7.7897 90; 90; 120	16309.3	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558706	CIF	C18 H16 Cu N2 O4	R -3 :H	26.44; 26.44; 7.8045 90; 90; 120	4724.97	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558707	CIF	C18 H16 Cu N2 O4	R -3 :H	26.3304; 26.3304; 7.7955 90; 90; 120	4680.5	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558708	CIF	C18 H16 Cu N2 O4	R -3 :H	25.342; 25.342; 7.7011 90; 90; 120	4283.2	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558709	CIF	C18 H16 Cu N2 O4	R -3 :H	26.0243; 26.0243; 7.7622 90; 90; 120	4552.75	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558710	CIF	C18 H16 Cu N2 O4	R -3 :H	25.4689; 25.4689; 7.7069 90; 90; 120	4329.4	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558711	CIF	C18 H16 Cu N2 O4	R -3 :H	26.62; 26.62; 7.7505 90; 90; 120	4756.4	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558712	CIF	C18 H16 Cu N2 O4	R -3 :H	25.7864; 25.7864; 7.7459 90; 90; 120	4460.5	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558713	CIF	C18 H16 Cu N2 O4	R -3 :H	25.2568; 25.2568; 7.7047 90; 90; 120	4256.4	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558714	CIF	C18 H16 Cu N2 O4	R -3 :H	26.1591; 26.1591; 7.7544 90; 90; 120	4595.4	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558715	CIF	C18 H16 Cu N2 O4	R -3 :H	25.3023; 25.3023; 7.7337 90; 90; 120	4287.8	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558716	CIF	C58 H58 Cu3 N6 O13	P -1	7.7799; 15.1586; 15.4901 116.604; 100.395; 98.422	1551.99	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558717	CIF	C18 H16 Cu N2 O4	R -3 :H	25.4345; 25.4345; 7.7363 90; 90; 120	4334.2	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558718	CIF	C18 H16 Cu N2 O4	R -3 :H	25.6002; 25.6002; 7.7386 90; 90; 120	4392.2	McMonagle, Charlie; Comar, Priyanka; Nichol, Gary Stephen; Allan, David Robert; Barreda-Argūeso, José A; Gonzalez, Jesus Antonio; Rodriguez, Fernando; Valiente, Rafael; Turner, Gemma; Brechin, Euan K.; Moggach, Stephen A. Pressure-and Temperature Induced Phase Transitions, Piezochromism, NLC Behaviour and Pressure Controlled Jahn-Teller Switching in a Cu-based Framework Chemical Science, 2020
1558719	CIF	C19 H16 F6 N2 O3	P 1 21/n 1	9.449; 19.372; 21.3178 90; 97.644; 90	3867.5	Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting. Journal of medicinal chemistry, 2020
1558720	CIF	C22 H26 N2 O3	P c c n	21.4182; 22.3478; 9.3093 90; 90; 90	4455.89	Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting. Journal of medicinal chemistry, 2020
1558721	CIF	C21 H23 N O4 S	P 1 21/c 1	11.282; 15.881; 11.591 90; 111.756; 90	1928.8	Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian Thermodynamics and kinetics of protonated merocyanine photoacids in water Chemical Science, 2020
1558722	CIF	C20 H21 N O4 S	P 1 21/n 1	8.33916; 19.51555; 11.56961 90; 102.22; 90	1840.22	Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian Thermodynamics and kinetics of protonated merocyanine photoacids in water Chemical Science, 2020
1558723	CIF	C22 H25 N O4 S	P n a 21	17.1075; 6.98646; 19.6635 90; 90; 90	2350.2	Berton, Cesare; Busiello, Daniel Maria; Zamuner, Stefano; Solari, Euro; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay; Pezzato, Cristian Thermodynamics and kinetics of protonated merocyanine photoacids in water Chemical Science, 2020
1558724	CIF HKL Paper	C21 H15 F N2 O4 S	P 1 21/c 1	9.8726; 15.8054; 11.8345 90; 94.679; 90	1840.51	Wu, Mei-Fang; Chen, Ling-Yan; Li, Ya 3-(2,2-Dioxo-3,4-dihydrobenzo[<i>e</i>][1,2,3]oxathiazin-4-yl)-3-fluoro-1-phenylindolin-2-one IUCrData, 2020, 5, x201028
1558725	CIF	Ba3 Ga3 O14 Si2 Ta	P 3 2 1	8.515; 8.515; 5.192 90; 90; 120	326.01	Usui, H.; Kusakabe, H.; Tokuda, M.; Sugiyama, K.; Hoshina, T.; Tsurumi, T.; Takeda, H. Structure and electrical properties of Ba3TaGa3Si2O14 single crystals grown by Czochralski method Journal of the Ceramic Society of Japan, 2020, 128, 441-446
1558726	CIF	Co0.5 La1.24 Li1.07 O3.15	A m m m	5.352; 5.355; 12.632 90; 90; 90	362	Takami, T.; Ishikawa, Y.; Yonemura, M.; Fukunaga, T.; Matsubara, E.; Abe, T. Crystal structure, ionic conductivity and lithium-ion diffusion pathway in a La-Li-Co-O system Journal of the Ceramic Society of Japan, 2020, 128, 453-456
1558727	CIF	C36 H27 Br3 Fe3	P 1 21/c 1	12.562; 10.663; 21.857 90; 93.762; 90	2921.4	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558728	CIF	C72 H52 Fe3 P3	P -1	12.1916; 13.1108; 18.3274 83.468; 78.135; 80.466	2817.6	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558729	CIF	C36 H24 Br3 F3 Fe3	P 1 21/c 1	14.0078; 19.3202; 12.2848 90; 115.926; 90	2990.08	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558730	CIF	C39 H33 Br3 Fe3	P 1 21/c 1	15.619; 14.0809; 14.7566 90; 98.42; 90	3210.4	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558731	CIF	C39 H33 Br3 Fe3	P 1 21/n 1	7.7184; 32.9287; 12.6304 90; 93.703; 90	3203.4	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558732	CIF	C76.68 H66.82 Cl Fe3 O0 P3	P -1	10.2357; 16.1124; 19.2961 102.741; 96.159; 93.096	3076.2	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558733	CIF	C70 H55 Au3 Cl6 Fe3 N3 P3	P 1	9.8526; 10.9313; 18.774 92.519; 103.594; 95.61	1951.25	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558734	CIF	C30 H24 Br2 Fe3	P 1 21/c 1	15.7205; 7.4429; 20.7347 90; 100.647; 90	2384.32	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558735	CIF	C69.1 H60.25 Br4 Cl2.25 Fe5	P -1	11.5217; 11.6762; 23.9327 76.369; 88.688; 69.101	2916.48	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558736	CIF	C72 H66 B3 Fe3 P3	R 3 c :H	17.244; 17.244; 33.5908 90; 90; 120	8650.2	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558737	CIF	C26 H16 Br3 F3 Fe2	P 1 21/c 1	10.8725; 7.3697; 57.2078 90; 94.432; 90	4570.19	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558738	CIF	C247 H128 Al6 Au6 Cl13 F216 Fe6 O24 P6	P -1	19.44; 25.6696; 35.2564 103.677; 96.218; 108.488	15888.5	Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science, 2020
1558739	CIF	C172 H152 Co9 N17 P6 Se8	P 1 21/n 1	19.2673; 23.5145; 35.6971 90; 92.434; 90	16158.4	Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation Chemical Science, 2020
1558740	CIF	C132 H117 Co9 N9 P6 Se8	P -1	15.3355; 17.8362; 29.564 87.013; 87.701; 82.9	8009	Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation Chemical Science, 2020
1558741	CIF	C129 H117 Co9 N9 P6 Se8	P 1 21/c 1	30.1353; 15.1296; 33.4288 90; 116.579; 90	13630.6	Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation Chemical Science, 2020
1558742	CIF	C132 H120 Co9 N9 P6 Se8	P 1 21/n 1	18.3156; 24.1602; 35.255 90; 92.12; 90	15590	Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation Chemical Science, 2020
1558743	CIF	C258 H228 Co18 N18 P12 Se16	P -1	19.0473; 28.0304; 30.824 109.902; 97.084; 102.271	14774	Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation Chemical Science, 2020
1558744	CIF	C18 H18 N2 O2 S	P 1 21/n 1	9.4551; 12.9619; 13.7159 90; 106.971; 90	1607.8	Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L. Excited State Electron Transfer from Donor−π System–Acceptor Dyes to ZnO Nanocrystals The Journal of Physical Chemistry C, 2020, 124, 15565-15573
1558745	CIF	C23 H31 N3 O4	I 1 2/a 1	10.072; 10.703; 41.298 90; 90.973; 90	4451	Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L. Excited State Electron Transfer from Donor−π System–Acceptor Dyes to ZnO Nanocrystals The Journal of Physical Chemistry C, 2020, 124, 15565-15573
1558746	CIF	C29 H18 B Br F2 N4 O	P 1 21/n 1	6.1494; 12.1392; 32.664 90; 91.559; 90	2437.4	Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents The Journal of Physical Chemistry C, 2020, 124, 15523-15532
1558747	CIF	C29 H17 B Br Cl F2 N4 O	P -1	6.8135; 12.7688; 15.1104 72.734; 81.142; 85.188	1239.4	Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents The Journal of Physical Chemistry C, 2020, 124, 15523-15532
1558748	CIF	C29 H17 B Br F2 N5 O3	P -1	6.876; 13.044; 15.177 72.972; 79.164; 84.313	1276.9	Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents The Journal of Physical Chemistry C, 2020, 124, 15523-15532
1558749	CIF	C30 H20 B Br F2 N4 O	P 1 21/n 1	13.918; 10.44; 17.24 90; 96.078; 90	2491	Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Paitandi, Rajendra Prasad; Pandey, Daya Shankar Controlling Aggregation and Excited-State Intramolecular Proton Transfer in BODIPYs by Incorporation of 2-(2-Hydroxyphenyl)quinazoline and Variation of Substituents The Journal of Physical Chemistry C, 2020, 124, 15523-15532
1558750	CIF	C20 H28 O4	P 21 21 21	10.4979; 12.8949; 13.082 90; 90; 90	1770.9	Zhou, Bin; Ren, Yu-Hao; Han, Ying-Shan; Mesplède, Thibault; Yue, Jian-Min Diverse Types of Diterpenoids with an Aromatized C Ring from the Twigs of <i>Podocarpus imbricatus</i>. Journal of natural products, 2020, 83, 2416-2424
1558751	CIF	C25 H45 B Cl N P Rh	P -1	7.2623; 8.3682; 23.6179 81.735; 87.228; 72.334	1353.41	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558752	CIF	C28 H51 B Cl N P Rh	P 1 21 1	13.155; 13.567; 17.3 90; 95.737; 90	3072.1	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558753	CIF	C34 H51 B Cl Fe N P Rh	P 1 21/c 1	18.5; 10.9446; 16.701 90; 99.868; 90	3331.5	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558754	CIF	C36 H58 B2 Cl N O2 P Rh	P 1 21/n 1	11.385; 27.454; 12.146 90; 95.31; 90	3780.1	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558755	CIF	C26 H47 B Cl N P Rh	P 1 21/n 1	8.4198; 22.107; 15.4 90; 100.678; 90	2816.9	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558756	CIF	C28 H47 B Cl N P Rh	P 1 21/n 1	17.729; 9.767; 19.228 90; 115.848; 90	2996	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558757	CIF	C31 H46 B Cl F3 N P Rh	P 1 21/c 1	14.758; 11.7829; 19.206 90; 107.324; 90	3188.3	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558758	CIF	C32 H52 B Cl N2 P Rh	P 1 21/n 1	8.3899; 20.844; 19.12 90; 93.632; 90	3337	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558759	CIF	C43 H69 B2 Cl N2 P Rh	P -1	9.269; 12.103; 20.168 106.938; 91.473; 96.9	2144.3	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558760	CIF	C21 H28 B N	P 1 21/c 1	16.329; 9.07; 13.365 90; 110.285; 90	1856.6	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558761	CIF	C39 H56 B Cl N P Rh	P 1 21/c 1	18.735; 25.249; 8.208 90; 102.644; 90	3789	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558762	CIF	C25 H48 B Cl N P2 Rh	P -1	9.9075; 10.1161; 14.978 84.197; 79.842; 77.786	1441	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558763	CIF	C31 H48 B Cl Fe N P2 Rh	P 1 21/n 1	11.621; 38.859; 14.802 90; 99.837; 90	6586	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558764	CIF	C33 H55 B2 Cl N O2 P2 Rh	P 1 21/c 1	9.831; 19.14; 19.599 90; 101.13; 90	3618	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558765	CIF	C22 H42 B Cl N P2 Rh	P b c a	10.096; 18.272; 28.341 90; 90; 90	5228	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558766	CIF	C23 H44 B Cl N P2 Rh	P 1 21/c 1	13.118; 14.618; 28.215 90; 92.72; 90	5404	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558767	CIF	C27 H44 B Cl N P2 Rh	P 1 21/n 1	9.117; 18.699; 17.128 90; 92.047; 90	2918.1	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558768	CIF	C39 H55 B Cl F3 N2 P Rh	P 1 21/c 1	16.099; 12.139; 20.044 90; 96.049; 90	3895	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558769	CIF	C37 H61 B N5 Rh	P 1 21/n 1	11.969; 19.828; 15.99 90; 91.168; 90	3794	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558770	CIF	C21 H28 B N	P c a 21	12.67; 11.135; 13.004 90; 90; 90	1834.6	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558771	CIF	C30 H52 B N3 P Rh	P 1 21/n 1	12.009; 18.218; 14.765 90; 107.74; 90	3077	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558772	CIF	C28 H51 B Cl N P Rh	P 1 21/n 1	11.254; 9.024; 29.373 90; 98.317; 90	2951.6	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558773	CIF	C90 H147 B3 Cl3 N3 P6 Rh3	P -1	12.921; 20.038; 21.929 107.641; 104.548; 103.913	4919.1	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558774	CIF	C30 H47 B Cl N P2 Rh	C 1 2/c 1	22.645; 18.484; 17.744 90; 122.497; 90	6264	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558775	CIF	C28 H51 B Cl N P Rh	P 1 21/c 1	14.74; 15.319; 14.833 90; 116.828; 90	2988.8	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558776	CIF	C34 H55 B N5 Rh	P 1 21/n 1	11.06; 18.039; 17.701 90; 94.498; 90	3520.7	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558777	CIF	C34 H60 B N3 P Rh	P 21 21 21	11.529; 16.437; 18.831 90; 90; 90	3568.5	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558778	CIF	C28 H51 B Cl N P Rh	P c a 21	21.577; 8.0109; 34.845 90; 90; 90	6023	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558779	CIF	C36 H65 B N3 P Rh	P 1 21/c 1	11.713; 16.027; 20.498 90; 106.075; 90	3697.5	Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes Chemical Science, 2020
1558780	CIF	C16 H16 Br2	P 1 21/c 1	8.2066; 16.0484; 5.6011 90; 100.525; 90	725.27	Gieuw, Matthew H.; Chen, Shuming; Ke, Zhihai; Houk, Kendall N.; Yeung, Ying-Yeung Boron Tribromide as Reagent for Anti-Markovnikov Addition of HBr to Cyclopropanes Chemical Science, 2020
1558781	CIF	C27 H15 O21 Tb3	P 43 2 2	10.2107; 10.2107; 43.1372 90; 90; 90	4497.42	Zeng, Min; Ren, Ang; Wu, Wubin; Zhao, Yong Sheng; Zhan, Chuanlang; Yao, Jiannian Lanthanide MOFs for Inducing Molecular Chirality of Achiral Stilbazolium with Strong Circularly Polarized Luminescence and Efficient Energy Transfer for Color Tuning Chemical Science, 2020
1558782	CIF	C9 H5 O7 Tb	P 43 2 2	10.2191; 10.2191; 14.3738 90; 90; 90	1501.06	Zeng, Min; Ren, Ang; Wu, Wubin; Zhao, Yong Sheng; Zhan, Chuanlang; Yao, Jiannian Lanthanide MOFs for Inducing Molecular Chirality of Achiral Stilbazolium with Strong Circularly Polarized Luminescence and Efficient Energy Transfer for Color Tuning Chemical Science, 2020
1558783	CIF	C4 H11 F I P	P n m a	12.143; 7.3397; 9.2655 90; 90; 90	825.8	Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety New Journal of Chemistry, 2020, 44, 14306-14315
1558784	CIF	C13 H32 F I N3 P	P -1	10.0648; 10.1439; 18.6453 93.292; 92.58; 90.104	1898.53	Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety New Journal of Chemistry, 2020, 44, 14306-14315
1558785	CIF	C13 H12 F O P	P -1	11.5552; 13.7077; 17.2666 69.635; 78.081; 65.391	2325	Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety New Journal of Chemistry, 2020, 44, 14306-14315
1558786	CIF	C10 H14 F I N3 P	P 1 21/c 1	8.7566; 9.3257; 17.2049 90; 100.741; 90	1380.36	Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety New Journal of Chemistry, 2020, 44, 14306-14315
1558787	CIF	C37 H30.57 F I O1.28 P2	P -1	11.3894; 13.0313; 13.4302 64.227; 66.641; 68.195	1599.41	Reichel, Marco; Unger, Cornelia; Dubovnik, Sviatlana; Roidl, Andreas; Kornath, Andreas; Karaghiosoff, Konstantin Synthesis, structural and toxicological investigations of quarternary phosphonium salts containing the P-bonded bioisosteric CH2F moiety New Journal of Chemistry, 2020, 44, 14306-14315
1558788	CIF	C17.75 H23 F N3 O4.75 S	P 1 21 1	12.14978; 26.7382; 23.8054 90; 94.0929; 90	7713.78	Zhao, Hongyi; Wang, Bin; Fu, Lei; Li, Gang; Lu, Haijia; Liu, Yuke; Sheng, Li; Li, Yan; Zhang, Baoxi; Lu, Yang; Ma, Chen; Huang, Haihong; Zhang, Dongfeng; Lu, Yu The Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis. Journal of medicinal chemistry, 2020
1558789	CIF	B2 H129 Na9 O216 Si4 W40 Zr8	P -1	22.7995; 23.4951; 24.1703 93.532; 96.446; 99.054	12663.8	Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties. Nanoscale, 2020, 12, 18333-18341
1558790	CIF	B6 H118 Na8 O216 Si4 W40 Zr8	C m c m	44.1472; 12.5213; 41.9116 90; 90; 90	23167.9	Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties. Nanoscale, 2020, 12, 18333-18341
1558791	CIF	C12 H88 N8 O168 Si4 W40 Zr8	P -1	11.7819; 20.9415; 21.9893 67.484; 82.137; 88.158	4963.5	Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties. Nanoscale, 2020, 12, 18333-18341
1558792	CIF	C22 H18 N4 O6	P -1	9.4021; 13.6517; 24.7468 95.613; 95.4022; 91.5873	3144.91	Manes, Taylor A.; Imler, Gregory H.; Sullivan, Kyle T.; Bukovsky, Eric V. Evaluating the bis-isoxazole core for energetic heterocyclic-based oligomers Polymer Chemistry, 2020, 11, 6149-6156
1558793	CIF	C15 H10 Br2 N2	P 1 21/c 1	9.9415; 15.8691; 10.216 90; 118.805; 90	1412.28	O’SHEA, Donal F.; SOMMER, Roger D.; TANIGUCHI, Masahiko; LINDSEY, Jonathan S. Crystal Structure of 1,9-Dibromo-5-phenyldipyrrin, Tetrapyrrole Synthesis Derivative and Free Base Ligand of BODIPY Building Blocks X-ray Structure Analysis Online, 2020, 36, 21-22
1558794	CIF	C51 H43 Cl2 Co2 F10 N6 O14	P -1	11.1387; 11.5941; 21.7622 88.1955; 76.0524; 79.232	2679.3	SHINDE, Naho; FURUTACHI, Hideki; SAKATA, Yoko; AKINE, Shigehisa; FUJINAMI, Shuhei; SUZUKI, Masatatsu Crystal Structure of (μ-Phenoxo)bis(μ-pentafluorobenzoate)dicobalt(II, III) Complex with a Dinucleating Ligand X-ray Structure Analysis Online, 2020, 36, 23-25
1558795	CIF	C15 H15 Ag3 N6 O12	P 1 21/c 1	5.2255; 19.615; 20.516 90; 96.921; 90	2087.5	Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M. Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands Applied Sciences, 2020, 10, 4853
1558796	CIF	C10 H10 Ag N3 O5	P -1	8.1664; 8.4103; 10.4848 70.364; 76.308; 61.128	591.51	Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M. Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands Applied Sciences, 2020, 10, 4853
1558797	CIF	C12 H10 Ag N3 O5	C 1 2 1	22.493; 7.8119; 3.6817 90; 91.727; 90	646.63	Badr, Ahmed M. A.; Barakat, Assem; Albering, Jörg H.; Sharaf, Mona M.; Ul-Haq, Zaheer; Soliman, Saied M. Structure, Antimicrobial Activity, Hirshfeld Analysis, and Docking Studies of Three Silver(I) Complexes-Based Pyridine Ligands Applied Sciences, 2020, 10, 4853
1558798	CIF	C46 H46 B Fe N4 O2	P 1 21/c 1	15.36; 13.8978; 18.4909 90; 103.452; 90	3839	Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer Magnetochemistry, 2020, 6, 29
1558799	CIF	C81 H86 B2 Fe N6 O2	P 1 21/n 1	11.7178; 36.427; 16.1388 90; 104.503; 90	6669.2	Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer Magnetochemistry, 2020, 6, 29
1558800	CIF	C46 H46 B Fe N4 O2	P 1 21/c 1	15.4749; 13.9637; 18.888 90; 103.392; 90	3970.5	Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer Magnetochemistry, 2020, 6, 29
1558801	CIF	C81 H86 B2 Fe N6 O2	P 1 21/n 1	11.5785; 36.8734; 16.5868 90; 103.385; 90	6889.2	Ishikawa, Ryuta; Noda, Takeshi; Ueno, Shunya; Okubo, Takashi; Yamakawa, Hirofumi; Sakamoto, Ken-ichi; Kawata, Satoshi Spin Crossover in Bipyridine Derivative Bridged One-Dimensional Iron(III) Coordination Polymer Magnetochemistry, 2020, 6, 29
1558802	CIF	C17 H16 N2 O4	P 21 21 21	5.5972; 15.0183; 16.7717 90; 90; 90	1409.84	Konstantinova, Lidia S.; Tolmachev, Mikhail A.; Popov, Vadim V.; Rakitin, Oleg A. Ethyl 11a,12-Dihydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine-5a(6H)-carboxylate Molbank, 2020, 2020, M1149
1558803	CIF	C26 H38 Fe N2 Si	P 1 21/m 1	7.46458; 17.4351; 10.11223 90; 99.0427; 90	1299.71	Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L. The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction Chemical Science, 2020
1558804	CIF	C44 H74.63 Fe K N2 O7.5 Si	P -1	12.7212; 13.5703; 14.5849 73.777; 85.65; 86.169	2407.84	Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L. The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction Chemical Science, 2020
1558805	CIF	C50.5 H70 Fe2 N4 S Si	P 1 21/c 1	15.284; 14.0745; 22.2861 90; 94.457; 90	4779.57	Nagelski, Alexandra L.; Fataftah, Majed S.; Bollmeyer, Melissa M.; McWilliams, Sean F.; MacMillan, Samantha N.; Mercado, Brandon Q.; Lancaster, Kyle M.; Holland, Patrick L. The influences of carbon donor ligands on biomimetic multi-iron complexes for N2 reduction Chemical Science, 2020
1558806	CIF	C18 H17 N O	P 1 21/c 1	6.2396; 23.7102; 9.2667 90; 96.545; 90	1362	Xie, Jianing; Li, Xuetong; Kleij, Arjan Willem Pd-catalyzed stereoselective tandem ring-opening amination/cyclization of vinyl gamma-lactones: Access to caprolactam diversity Chemical Science, 2020
1558807	CIF	C18 H17 Br2 N O	P 1 21/n 1	13.0644; 7.055; 17.3068 90; 94.551; 90	1590.1	Xie, Jianing; Li, Xuetong; Kleij, Arjan Willem Pd-catalyzed stereoselective tandem ring-opening amination/cyclization of vinyl gamma-lactones: Access to caprolactam diversity Chemical Science, 2020
1558808	CIF	C193 H180 F21 N28 O21 S19 Zn4	P -1	17.1885; 18.1907; 19.2773 67.867; 83.882; 83.88	5537	Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages Chemical Science, 2020
1558809	CIF	C105 H105 Cd2 F12 N15 O12 S10	P -1	17.6556; 18.0529; 19.857 78.743; 75.912; 79.512	5960.2	Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages Chemical Science, 2020
1558810	CIF	C97 H90 F12 N14 O12 S10 Zn2	P 1 21/n 1	21.3852; 18.216; 28.8807 90; 91.739; 90	11245.4	Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages Chemical Science, 2020
1558811	CIF	C93 H102 N14 S6	P 1 21/c 1	21.057; 15.0503; 34.322 90; 90.522; 90	10876.7	Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages Chemical Science, 2020
1558812	CIF	C27 H22 N2 O2 S2	C 1 2/c 1	24.6968; 9.9776; 9.3115 90; 93.975; 90	2288.97	Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages Chemical Science, 2020
1558813	CIF	C27 H22 N2 O2 S2	C 1 2/c 1	22.315; 12.4269; 8.2043 90; 92.884; 90	2272.2	Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages Chemical Science, 2020
1558814	CIF	C109 H111 Cd2 F12 N17 O12 S10	P 43 21 2	13.5418; 13.5418; 66.0707 90; 90; 90	12116.1	Zhang, Jianhua; Wang, Hai-Ping; Zhang, Lu-Yin; Wei, Shi-Chao; Wei, Zhang-Wen; Pan, Mei; Su, Cheng-Yong Coordinative-to-Covalent Transformation, Isomerization Dynamics, and Logic Gate Application of Dithienylethene Based Photochromic Cages Chemical Science, 2020
1558815	CIF HKL Paper	Cl9 S U	P 21 21 21	10.534; 10.545; 11.217 90; 90; 90	1246	Deubner, Holger Lars; Ivlev, Sergei I.; Kraus, Florian Rerefinement of the crystal structure of trichloridosulfonium(IV) hexachloridouranate(V), (SCl~3~)[UCl~6~] IUCrData, 2020, 5, x200960
1558816	CIF HKL Paper	C18 H22 Cd N8 O12	P -1	7.191; 8.698; 10.987 112.289; 92.827; 101.656	616.7	Ibragimov, Avazbek Bis(3,5-dinitrobenzoato-κ<i>O</i>)bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cadmium(II) IUCrData, 2020, 5, x200843
1558817	CIF	C38.5 H57 O5.5	I 1 2 1	10.479; 10.076; 34.499 90; 93.585; 90	3635.5	Marchbank, Douglas H.; Ptycia-Lamky, Vernon C.; Decken, Andreas; Haltli, Bradley A.; Kerr, Russell G. Guanahanolide A, a Meroterpenoid with a Sesterterpene Skeleton from Coral-Derived Streptomyces sp. Organic Letters, 2020
1558818	CIF HKL Paper	C25 H25 N3 O4	P 21 21 21	7.8041; 22.8879; 25.267 90; 90; 90	4513.2	Shripanavar, Chetan Shrimandhar; Butcher, Ray J. (<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide IUCrData, 2020, 5, x201060
1558819	CIF	C80 H96 K2 O14	P 1 21/c 1	10.0128; 19.991; 18.021 90; 100.403; 90	3547.9	Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A. Structural deformation and host–guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12) Chemical Science, 2020
1558820	CIF	C156 H184 K2 O27	P -1	13.362; 14.3577; 19.7293 104.73; 103.035; 108.151	3281.6	Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A. Structural deformation and host‒guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12) Chemical Science, 2020
1558821	CIF	C92 H104 K2 O14	P b c a	16.905; 18.2916; 24.694 90; 90; 90	7635.9	Zhou, Zheng; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A. Structural deformation and host–guest properties of doubly-reduced cycloparaphenylenes, [n]CPPs2− (n = 6, 8, 10, and 12) Chemical Science, 2020
1558822	CIF	C39.44 H32.02 Fe2 N13.14 O1.15	F d d d :2	7.0648; 26.4382; 45.215 90; 90; 90	8445.3	Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion Chemical Science, 2020
1558823	CIF	C36 H24 Fe2 N12 Na0.51	F d d d :2	7.0813; 26.493; 45.483 90; 90; 90	8533	Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion Chemical Science, 2020
1558824	CIF	C36 H24 Fe2 K2.01 N12	F d d d :2	7.081; 26.535; 45.388 90; 90; 90	8528	Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion Chemical Science, 2020
1558825	CIF	C36 H24 Fe2 N12 Na2.04	F d d d :2	7.0835; 26.4668; 45.398 90; 90; 90	8511.1	Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion Chemical Science, 2020
1558826	CIF	C36 H24 Fe2 Li2 N12	F d d d :2	7.0748; 26.4454; 45.3279 90; 90; 90	8480.7	Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion Chemical Science, 2020
1558827	CIF	C17 H21 N3 O4 S2	P -1	11.823; 14.91; 17.77 66.73; 84.29; 75.73	2789	Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J. Conformation control through concurrent N–H···S and N–H···O=C hydrogen bonding and hyperconjugation effects Chemical Science, 2020
1558828	CIF	C13 H16 N2 O3 S	P -1	8.685; 8.736; 9.845 93.793; 115.772; 100.572	652.2	Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J. Conformation control through concurrent N–H···S and N–H···O=C hydrogen bonding and hyperconjugation effects Chemical Science, 2020
1558829	CIF	C21 H26 N4 O5 S3	P 1 21/n 1	9.3649; 16.1291; 15.8386 90; 103.398; 90	2327.3	Imani, Zeynab; Mundlapati, V. Rao; Goldsztejn, Gildas; Brenner, Valerie; Gloaguen, Eric; Guillot, Régis; Baltaze, Jean-Pierre; Le Barbu-Debus, Katia; Robin, Sylvie; Zehnacker, Anne; MONS, Michel; Aitken, David J. Conformation control through concurrent N–H···S and N–H···O=C hydrogen bonding and hyperconjugation effects Chemical Science, 2020
1558830	CIF	C16 H15 N O4	P -1	8.336; 10.178; 16.326 82.284; 76.557; 87.081	1334.73	Araújo, Rodrigo S. A. de; Zondegoumba, Ernestine N. T.; Tankoua, Whisthler L. D.; Nyassé, Barthelemy; Mendonça, Francisco J. B. F.; De Simone, Carlos A. 1-Hydroxy-3,4-dimethoxy-10-methylacridin-9-one IUCrData, 2020, 5, x201005
1558831	CIF HKL Paper	C11 H16 N2 Se	P 1 21/n 1	12.0239; 7.1317; 12.6836 90; 101.104; 90	1067.27	Detert, Heiner; Schollmeyer, Dieter <i>rac</i>-12-Selena-13,14-diazatricyclo[9.3.0.0^2,4^]tetradeca-11,13-diene IUCrData, 2020, 5, x201081
1558832	CIF	C30.35 H42.7 Ag Cl0.7 F6 O4 P8 Sb Ta2	P -1	10.4796; 14.267; 17.0118 96.742; 90.464; 101.225	2476.3	Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies Chemical Science, 2020
1558833	CIF	C15 H21 Ag F6 O2 P4 Sb Ta	P 41 21 2	19.22628; 19.22628; 26.5819 90; 90; 90	9826	Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies Chemical Science, 2020
1558834	CIF	C164.25 H238.5 Ag8 Cl7.5 F48 N9 O16 P36 Sb8 Se3 Ta8	P -1	17.95491; 22.5635; 38.3495 81.1581; 78.416; 73.772	14534.6	Scheer, Manfred; Presypkina, Eugenia V.; Virovets, Alexander Viktorovich; Bielmeier, Martin Use of a cyclo-P4 building block ‒ A Way to Networks of Host-Guest Assemblies Chemical Science, 2020
1558835	CIF	C64 H90 Br6 N14 O10 Zn3	P n a 21	16.5576; 13.6347; 35.072 90; 90; 90	7917.8	Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition Chemical Science, 2020, 11, 9818-9826
1558836	CIF	C60 H78 Br6 N10 O10 Zn3	P b c n	33.1022; 13.6273; 16.0057 90; 90; 90	7220.1	Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition Chemical Science, 2020, 11, 9818-9826
1558837	CIF	C50 H62 Br6 N6 O8 Zn3	P n a 21	15.889; 13.4934; 33.29 90; 90; 90	7137	Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition Chemical Science, 2020, 11, 9818-9826
1558838	CIF	C56 H74 Br6 N6 O14 Zn3	P n a 21	15.659; 13.6267; 32.01 90; 90; 90	6830.3	Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition Chemical Science, 2020, 11, 9818-9826
1558839	CIF	C44 H48 Br6 N8 O6 Zn3	P b c a	15.4998; 25.3392; 27.2058 90; 90; 90	10685.1	Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition Chemical Science, 2020, 11, 9818-9826
1558840	CIF	C56 H74 Br6 N6 O14 Zn3	P n a 21	16.3631; 13.1544; 30.779 90; 90; 90	6625.08	Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition Chemical Science, 2020, 11, 9818-9826
1558841	CIF	C100 H122 Ni6 O54	P -1	11.942; 16.17; 17.035 63.651; 79.41; 78.27	2869.7	Zhang, Xinyue; Vidavsky, Yuval; Aharonovich, Sinai; Yang, Steven J.; Buche, Michael R.; Diesendruck, Charles E.; Silberstein, Meredith N. Bridging experiments and theory: isolating the effects of metal-ligand interactions on viscoelasticity of reversible polymer networks. Soft matter, 2020, 16, 8591-8601
1558842	CIF	C12 H16 N2 O5	P 1 21/c 1	4.9815; 30.3259; 8.9413 90; 93.776; 90	1347.82	Germann, Luzia S.; Arhangelskis, Mihails; Etter, Martin; Dinnebier, Robert E.; Friščić, Tomislav Challenging the Ostwald rule of stages in mechanochemical cocrystallisation Chemical Science, 2020
1558843	CIF	C32 H72 F10 N2 O Ta2	C 1 2/c 1	21.23; 14.206; 18.083 90; 124.97; 90	4469.1	Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion Chemical Science, 2020
1558844	CIF	C16 H36 F6 N Ta	P 1 21/c 1	9.8905; 14.2131; 15.3276 90; 91.104; 90	2154.3	Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion Chemical Science, 2020
1558845	CIF	C30 H36 F10 O Se12 Ta2	P -1	7.8356; 10.993; 13.558 90.28; 80.09; 77.836	1123.6	Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion Chemical Science, 2020
1558846	CIF	C30 H36 F10 O S12 Ta2	P -1	7.813; 10.96; 13.091 86.153; 78.048; 77.49	1070.36	Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion Chemical Science, 2020
1558847	CIF	C30 H30 F10 O S18 Ta2	P 1 21/c 1	12.5633; 10.7252; 34.292 90; 93.226; 90	4613.3	Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion Chemical Science, 2020
1558848	CIF	C30 H24 F10 O S24 Ta2	P 1 21/a 1	12.615; 11.984; 16.747 90; 90.234; 90	2531.8	Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion Chemical Science, 2020
1558849	CIF	C30 H30 F10 O S18 Ta2	P 21 21 21	10.8773; 12.6267; 34.4236 90; 90; 90	4727.89	Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion Chemical Science, 2020
1558850	CIF	C78 H56 N2 O6	I m m m	6.9513; 20.343; 22.59 90; 90; 90	3194.5	Wasielewski, Michael R.; Schlesinger, Itai; Powers-Riggs, Natalia E; Logsdon, Jenna L.; Qi, Yue; Miller, Stephen A.; Tempelaar, Roel; Young, Ryan Michael Charge-Transfer Biexciton Annihilation in a Donor-Acceptor Co-crystal yields High-Energy Long-Lived Charge Carriers Chemical Science, 2020
1558851	CIF	C24 H36 Co N6 O5	P -1	10.7961; 11.0539; 13.2535 92.008; 113.595; 110.629	1327.6	Kwon, Nam; Suh, Jong-Min; Lim, Mi Hee; Hirao, Hajime; Cho, Jaeheung Mechanistic Insight into Hydroxamate Transfer Reaction Mimicking the Inhibition of Zinc-Containing Enzymes Chemical Science, 2020
1558852	CIF	C36 H49 B N4 O3 Zn	P -1	11.26; 11.588; 14.33 69.62; 75.44; 80.18	1689	Kwon, Nam; Suh, Jong-Min; Lim, Mi Hee; Hirao, Hajime; Cho, Jaeheung Mechanistic Insight into Hydroxamate Transfer Reaction Mimicking the Inhibition of Zinc-Containing Enzymes Chemical Science, 2020
1558853	CIF	C33 H22 N4 O	P 1 21/c 1	9.3137; 19.52; 13.6482 90; 94.3; 90	2474.3	Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence Materials Horizons, 2020, 7, 2734-2740
1558854	CIF	C33 H22 N4 O	P -1	9.449; 10.758; 13.327 96.653; 98.071; 112.124	1221.3	Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence Materials Horizons, 2020, 7, 2734-2740
1558855	CIF	C37 H30 N4 O2	P -1	8.7779; 12.5445; 14.1754 71.713; 82.118; 73.527	1419.26	Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence Materials Horizons, 2020, 7, 2734-2740
1558856	CIF	C42 H44 O7	P 1 21 1	12.9977; 9.61; 15.9499 90; 111.677; 90	1851.38	Atilaw, Yoseph; Muiva-Mutisya, Lois; Bogaerts, Jonathan; Duffy, Sandra; Valkonen, Arto; Heydenreich, Matthias; Avery, Vicky M.; Rissanen, Kari; Erdélyi, Máté; Yenesew, Abiy Prenylated Flavonoids from the Roots of <i>Tephrosia rhodesica</i>. Journal of natural products, 2020, 83, 2390-2398
1558857	CIF	C25 H13	R 3 :H	25.07149; 25.07149; 11.09028 90; 90; 120	6037.17	Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns Chemical Science, 2020
1558858	CIF	C50 H28	C 2 2 21	11.6264; 30.039; 26.9101 90; 90; 90	9398.2	Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns Chemical Science, 2020
1558859	CIF	C132 H78	P 43 21 2	23.1826; 23.1826; 44.5679 90; 90; 90	23952.3	Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns Chemical Science, 2020
1558860	CIF HKL Paper	C18 H22 Ca O12	P 1 21/n 1	5.3477; 26.6084; 7.7367 90; 106.715; 90	1054.37	Camargo-Cortés, Esmit B.; Acosta, Mirna; Martínez, Juan C.; Pineda, Leslie W. Tetraaquabis(2,3-dihydro-1,4-benzodioxine-2-carboxylato)calcium(II) IUCrData, 2020, 5, x201092
1558861	CIF	C20 H8 Co N12 Rb W	P -1	7.5298; 13.7545; 14.0687 119.276; 101.02; 89.974	1240.15	Yoshida, Takaya; Nakabayashi, Koji; Tokoro, Hiroko; Yoshikiyo, Marie; Namai, Asuka; Imoto, Kenta; Chiba, Kouji; Ohkoshi, Shin-ichi Extremely low-frequency phonon material and its temperature- and photo-induced switching effects Chemical Science, 2020
1558862	CIF	C20 H8 Co N12 Rb W	P -1	7.2253; 13.34; 13.839 118.671; 100.497; 90.1	1144.6	Yoshida, Takaya; Nakabayashi, Koji; Tokoro, Hiroko; Yoshikiyo, Marie; Namai, Asuka; Imoto, Kenta; Chiba, Kouji; Ohkoshi, Shin-ichi Extremely low-frequency phonon material and its temperature- and photo-induced switching effects Chemical Science, 2020
1558863	CIF	C30 H54 Au3 Co2 N6 Na3.33 O45 S6	I 21 3	41.171; 41.171; 41.171 90; 90; 90	69787	Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine Chemical Science, 2020
1558864	CIF	C30 H54 Au3 Co2 N6 Na3.33 O45 S6	I 21 3	41.407; 41.407; 41.407 90; 90; 90	70994	Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine Chemical Science, 2020
1558865	CIF	C30 H54 Au3 Co2 N6 Na3.33 O28 S6	I -4 3 d	39.2235; 39.2235; 39.2235 90; 90; 90	60345	Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine Chemical Science, 2020
1558866	CIF	C378 H613 Au9 Co6 N18 Na10 O301.5 S18	C 1 2 1	48.57; 28.05; 52.051 90; 97.93; 90	70236	Somsri, Supattra; Kuwamura, Naoto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi Self-assembly of Cyclic Hexamers of γ-Cyclodextrin in a Metallosupramolecular Framework with D-Penicillamine Chemical Science, 2020
1558867	CIF	Cl6 Cs5 Cu3 I2	C m c m	16.896; 9.1399; 14.033 90; 90; 90	2167.1	Jiangwei Li, Takeshi Inoshita, Tianping Ying, Atsushi Ooishi, Junghwan Kim, Hideo Hosono A Highly Efficient and Stable Blue-Emitting Cs5Cu3Cl6I2 with a 1D Chain Structure Advanced Materials, 2020, 2002945
1558868	CIF	C12 H24 Mg N2 O14	P 1 21/c 1	12.3698; 6.6167; 11.7758 90; 93.553; 90	962	Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P. Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction The Journal of Physical Chemistry C, 2020, 124, 19157-19165
1558869	CIF	C12 H12 Ca N2 O10	P 1 21/n 1	13.1605; 3.6268; 16.9855 90; 93.414; 90	809.29	Shirin, Shana; Roy, Soumendu; Rao, Anish; Pillai, Pramod P. Accelerated Reduction of 4-Nitrophenol: Bridging Interaction Outplays Reducing Power in the Model Nanoparticle-Catalyzed Reaction The Journal of Physical Chemistry C, 2020, 124, 19157-19165
1558870	CIF	C9 H14 O4	P 1 21/c 1	11.3771; 8.7126; 10.1258 90; 107.359; 90	958	Das, Jayabrata; Dolui, Pravas; Ali, Wajid; Biswas, Jyoti Prasad; Chandrashekar, Hediyala B.; Prakash, Gaurav; Maiti, Debabrata A Direct Route to Six and Seven Membered Lactones via γγ-C(sp3)-H Activation: A Simple Protocol to Build Molecular Complexity Chemical Science, 2020
1558871	CIF	C36 H66 O12 Pd3	P -1	11.4234; 12.9659; 15.7183 90.714; 97.035; 107.564	2199.86	Das, Jayabrata; Dolui, Pravas; Ali, Wajid; Biswas, Jyoti Prasad; Chandrashekar, Hediyala B.; Prakash, Gaurav; Maiti, Debabrata A Direct Route to Six and Seven Membered Lactones via γγ-C(sp3)-H Activation: A Simple Protocol to Build Molecular Complexity Chemical Science, 2020
1558872	CIF	C23 H24 Cl N3 O6	P 21 21 21	8.4648; 15.9282; 16.6678 90; 90; 90	2247.3	Cala, Lara; Villar, Pedro; de Lera, Ángel R.; Fañanás, Francisco J.; Álvarez, Rosana; Rodríguez, Félix Multicomponent and multicatalytic asymmetric synthesis of furo[2,3-b]pyrrole derivatives: further insights into the mode of action of chiral phosphoric acid catalysts Chemical Science, 2020
1558873	CIF	C24 H36 Cl F3 N2 O3	P 1 21/c 1	19.0452; 7.53882; 18.2425 90; 110.706; 90	2450.04	Rawling, Tristan; MacDermott-Opeskin, Hugo; Roseblade, Ariane; Pazderka, Curtis; Clarke, Callum; Bourget, Kirsi; Wu, Xin; Lewis, William; Noble, Benjamin; Gale, Philip A.; O'Mara, Megan L.; Cranfield, Charles; Murray, Michael Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter Chemical Science, 2020
1558874	CIF	C27 H43 Cl F3 N3 O4	P -1	10.4481; 13.0857; 21.6967 90.279; 98.533; 100.758	2880.37	Rawling, Tristan; MacDermott-Opeskin, Hugo; Roseblade, Ariane; Pazderka, Curtis; Clarke, Callum; Bourget, Kirsi; Wu, Xin; Lewis, William; Noble, Benjamin; Gale, Philip A.; O'Mara, Megan L.; Cranfield, Charles; Murray, Michael Aryl urea substituted fatty acids: a new class of protonophoric mitochondrial uncoupler that utilises a synthetic anion transporter Chemical Science, 2020
1558879	CIF	C20 H32 O4	P 21 21 2	12.7945; 26.092; 11.4869 90; 90; 90	3834.7	Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242. Journal of natural products, 2020, 83, 2528-2536
1558880	CIF	C21 H32 O4	P 1 21 1	7.7113; 10.3066; 12.1791 90; 97.215; 90	960.3	Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242. Journal of natural products, 2020, 83, 2528-2536
1558881	CIF	C20 H31 Cl O5	P 21 21 21	7.617; 11.8104; 22.6071 90; 90; 90	2033.73	Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242. Journal of natural products, 2020, 83, 2528-2536
1558882	CIF	C21 H34 O5	P 1 21 1	7.2621; 12.6474; 10.7864 90; 99.188; 90	977.98	Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242. Journal of natural products, 2020, 83, 2528-2536
1558883	CIF	C20 H33 O5.5	C 1 2 1	25.917; 12.6548; 13.9501 90; 118.868; 90	4006.7	Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242. Journal of natural products, 2020, 83, 2528-2536
1558884	CIF	C21 H32 O5	P 21 21 21	9.4565; 9.5803; 22.189 90; 90; 90	2010.2	Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242. Journal of natural products, 2020, 83, 2528-2536
1558885	CIF	C22 H18 N6 Pt	P 1 21/c 1	9.8643; 9.9442; 10.655 90; 112.053; 90	968.7	Sengupta, Debabrata; Goswami, Sreetosh; Banerjee, Rajdeep; Guberman-Pfeffer, Matthew J.; Patra, Abhijeet; Dutta, Anirban; Pramanick, Rajib; Narasimhan, Shobhana; Pradhan, Narayan; Batista, Victor; Venkatesan, T.; Goswami, Sreebrata Size-selective Pt siderophores based on redox active azo-aromatic ligands Chemical Science, 2020
1558886	CIF	C60 H61 Al Br Cl4 N4 O P	P 1 21/n 1	9.7658; 27.696; 20.719 90; 102.38; 90	5473.6	Sigmund, Lukas M.; Greb, Lutz Reversible OH-Bond Activation and Amphoterism by Metal-Ligand Cooperativity of the Calix[4]pyrrolato Aluminate Chemical Science, 2020
1558887	CIF	C30 H39 Al N4 O	P n a 21	9.776; 25.127; 11.0644 90; 90; 90	2717.9	Sigmund, Lukas M.; Greb, Lutz Reversible OH-Bond Activation and Amphoterism by Metal-Ligand Cooperativity of the Calix[4]pyrrolato Aluminate Chemical Science, 2020
1558888	CIF	C160 H124 Ce Lu2 N17 O21	P -1	16.4547; 19.5818; 23.333 108.507; 108.814; 92.156	6665.9	Macaluso, Emilio; Rubin, Marcos; Aguilà, David; Chiesa, Alessandro; Barrios, Leoní Alejandra; Martínez, Jesús Ignacio; Alonso, Pablo Javier; Roubeau, Olivier; Luis, Fernando; Aromi, Guillem; Carretta, Stefano A heterometallic [LnLn’Ln] lanthanide complex as a qubit with embedded quantum error correction Chemical Science, 2020
1558889	CIF	C160 H124 Er2 La N17 O21	P -1	16.218; 19.459; 23.331 108.404; 108.158; 91.61	6572.8	Macaluso, Emilio; Rubin, Marcos; Aguilà, David; Chiesa, Alessandro; Barrios, Leoní Alejandra; Martínez, Jesús Ignacio; Alonso, Pablo Javier; Roubeau, Olivier; Luis, Fernando; Aromi, Guillem; Carretta, Stefano A heterometallic [LnLn’Ln] lanthanide complex as a qubit with embedded quantum error correction Chemical Science, 2020
1558890	CIF	C34 H29 N3 O4	P 1 21/c 1	18.2166; 18.5973; 7.8095 90; 97.881; 90	2620.71	Harding, Cayley R.; Cann, Jonathan; Laventure, Audrey; Sadeghianlemraski, Mozhgan; Abd-Ellah, Marwa; Rao, Keerthan R.; Gelfand, Benjamin Sidney; Aziz, Hany; Kaake, Loren; Risko, Chad; Welch, Gregory C. Acid dyeing for green solvent processing of solvent resistant semiconducting organic thin films Materials Horizons, 2020, 7, 2959-2969
1558891	CIF	C10 H15 N2 O6.5	P 21 21 2	7.1184; 28.602; 5.6452 90; 90; 90	1149.4	Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology Organic Process Research & Development, 2020
1558892	CIF	C10 H18 N2 O8	P 21 21 21	7.2564; 10.1171; 17.2505 90; 90; 90	1266.42	Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology Organic Process Research & Development, 2020
1558893	CIF	C10 H14 N2 O6	P 21 21 21	7.1273; 9.0099; 17.154 90; 90; 90	1101.57	Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology Organic Process Research & Development, 2020
1558894	CIF	C112 H151 Cr2 N9 O6 P4	P b c a	25.6854; 20.829; 40.6993 90; 90; 90	21774.2	Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium Chemical Science, 2020
1558895	CIF	C87 H85 B Cr F24 N4 O3 P2	P -1	12.5935; 16.7577; 21.329 95.414; 99.551; 92.236	4412.18	Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium Chemical Science, 2020
1558896	CIF	C18 H20 O2	P n a 21	17.9616; 7.6761; 21.5205 90; 90; 90	2967.1	Shahni, Rahul K.; Mabin, Micah; Wang, Zhihan; Shaik, Muneer; Ugrinov, Angel; Chu, Qianli R. Synthesis and characterization of BPA-free polyesters by incorporating a semi-rigid cyclobutanediol monomer Polymer Chemistry, 2020, 11, 6081-6090
1558897	CIF	C20 H34 O4	P 21 21 21	8.48738; 8.60757; 25.91521 90; 90; 90	1893.25	Du, Min; An, Lijun; Xu, Jing; Guo, Yuanqiang Euphnerins A and B, Diterpenoids with a 5/6/6 Rearranged Spirocyclic Carbon Skeleton from the Stems of <i>Euphorbia neriifolia</i>. Journal of natural products, 2020
1558901	CIF	C48 H20 Fe6 N6 O32	P -4 3 n	21.966; 21.966; 21.966 90; 90; 90	10599	Gopalsamy, Karuppasamy; Babarao, Ravichandar Heterometallic Metal Organic Frameworks for Air Separation: A Computational Study Industrial & Engineering Chemistry Research, 2020, 59, 15718-15731
1558902	CIF	C44 H20 Cu2 N2 O10	F m -3 m	46.45; 46.45; 46.45 90; 90; 90	100221	Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan Engineering micromechanics of soft porous crystals for negative gas adsorption Chemical Science, 2020
1558903	CIF	C42 H22 Cu2 N2 O10	F m -3 m	49.76; 49.76; 49.76 90; 90; 90	123209	Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan Engineering micromechanics of soft porous crystals for negative gas adsorption Chemical Science, 2020
1558904	CIF	C36 H20 Cu2 N2 O10	R -3 m :H	23.11; 23.11; 49.6 90; 90; 120	22941	Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan Engineering micromechanics of soft porous crystals for negative gas adsorption Chemical Science, 2020
1558905	CIF	C42 H24 Cu2 N2 O10	F m -3 m	49.59; 49.59; 49.59 90; 90; 90	121950	Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan Engineering micromechanics of soft porous crystals for negative gas adsorption Chemical Science, 2020
1558906	CIF	C42 H22 Cu2 N2 O10	F m -3 m	46.54; 46.54; 46.54 90; 90; 90	100804	Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan Engineering micromechanics of soft porous crystals for negative gas adsorption Chemical Science, 2020
1558907	CIF	C42 H20 Cu2 N2 O10	F m -3 m	50.11; 50.11; 50.11 90; 90; 90	125827	Krause, Simon; Evans, Jack D.; Bon, Volodymyr; Senkovska, Irene; Ehrling, Sebastian; Iacomic, Paul; Többens, Daniel M; Llewellyn, Philip L.; Wallacher, Dirk; Weiss, Manfred S.; Zheng, Bin; Yot, Pascal G.; Maurin, Guillaume; Coudert, François-Xavier; Kaskel, Stefan Engineering micromechanics of soft porous crystals for negative gas adsorption Chemical Science, 2020
1558908	CIF	C61.2 H52.8 F4.8 N2 O9.6 S4	P 21 21 21	12.6462; 17.8817; 25.2987 90; 90; 90	5720.94	Gianga, Tiberiu-M; Audibert, Edwige; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan Discovery of an all-donor aromatic [2]catenane Chemical Science, 2020
1558913	CIF	C28 H12 Br4 O3	P -1	7.7182; 9.1941; 9.1951 66.644; 73.063; 84.331	572.95	Macdonald, Joshua W. R.; Piana, Giacomo; Comin, Massimiliano; von Hauff, Elizabeth; Kociok-Köhn, Gabriele; Bowen, Chris; Lagoudakis, Pavlos; D'Avino, Gabriele; Da Como, Enrico Charge transfer excitons in a donor‒acceptor amphidynamic crystal: the role of dipole orientational order Materials Horizons, 2020, 7, 2951-2958
1558914	CIF	C28 H12 Br4 O3	P -1	9.9529; 10.0251; 12.5133 85.623; 73.77; 68.865	1117.75	Macdonald, Joshua W. R.; Piana, Giacomo; Comin, Massimiliano; von Hauff, Elizabeth; Kociok-Köhn, Gabriele; Bowen, Chris; Lagoudakis, Pavlos; D'Avino, Gabriele; Da Como, Enrico Charge transfer excitons in a donor–acceptor amphidynamic crystal: the role of dipole orientational order Materials Horizons, 2020, 7, 2951-2958
1558915	CIF	C13 H15 Cu F6 N5 O5 Zr	P 1 21/n 1	8.38; 17.031; 14.817 90; 93.868; 90	2110	Huang, Yuhang; Xu, Yun; Zheng, Baishu; Wang, Zhaoxu; Dong, Qiubing; Duan, Jingui Molecular Sieving of C2H4 from C2H2 by a Supramolecular Porous Material Energy & Fuels, 2020
1558916	CIF	C17 H22 O6	P 1 21 1	7.3771; 12.8589; 8.6273 90; 91.272; 90	818.2	Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun Artemyrianolides A–S, Cytotoxic Sesquiterpenoids from Artemisia myriantha Journal of Natural Products, 2020
1558917	CIF	C15 H20 O4	P 1 21 1	5.6085; 15.2308; 7.9538 90; 98.2; 90	672.48	Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun Artemyrianolides A–S, Cytotoxic Sesquiterpenoids from Artemisia myriantha Journal of Natural Products, 2020
1558918	CIF	C15 H20 O4	P 21 21 21	8.4795; 10.1279; 15.4669 90; 90; 90	1328.29	Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun Artemyrianolides A–S, Cytotoxic Sesquiterpenoids from Artemisia myriantha Journal of Natural Products, 2020
1558928	CIF	C11 H18 O7	P 21 21 21	7.39944; 11.11572; 15.42283 90; 90; 90	1268.53	Zandi, Linda; Makungu, Marco; Munissi, Joan J. E.; Duffy, Sandra; Puttreddy, Rakesh; von der Heiden, Daniel; Rissanen, Kari; Avery, Vicky M.; Nyandoro, Stephen S.; Erdélyi, Máté Secoiridoids and Iridoids from <i>Morinda asteroscepa</i>. Journal of natural products, 2020
1558929	CIF	C51 H43 B F24 N Ni O P	P 1 21/c 1	12.6795; 19.6724; 21.4947 90; 97.371; 90	5317.25	Cui, Lei; Jian, Zhongbao A N-bridged strategy enables hemilabile phosphine‒carbonyl palladium and nickel catalysts to mediate ethylene polymerization and copolymerization with polar vinyl monomers Polymer Chemistry, 2020, 11, 6187-6193
1558930	CIF	C23 H25 Cl N O3 P Pd	P -1	8.633; 10.4214; 16.3267 78.073; 86.924; 70.447	1354.1	Cui, Lei; Jian, Zhongbao A N-bridged strategy enables hemilabile phosphine‒carbonyl palladium and nickel catalysts to mediate ethylene polymerization and copolymerization with polar vinyl monomers Polymer Chemistry, 2020, 11, 6187-6193
1558931	CIF HKL Paper	C10 H11 N3 O6	P -1	6.7463; 9.036; 9.3954 81.005; 85.099; 88.7	563.6	Uppu, Sannihith N.; Agu, Ogad A.; Deere, Curtistine J.; Fronczek, Frank R. <i>N</i>-(4-Ethoxy-2,5-dinitrophenyl)acetamide IUCrData, 2020, 5, x201121
1558935	CIF	C18 H19 N3 O3	P 1 21/n 1	13.4672; 5.79643; 20.7574 90; 97.299; 90	1607.23	Seal, Jonathan T.; Atkinson, Stephen J.; Aylott, Helen; Bamborough, Paul; Chung, Chun-Wa; Copley, Royston C. B.; Gordon, Laurie; Grandi, Paola; Gray, James R. J.; Harrison, Lee A.; Hayhow, Thomas G.; Lindon, Matthew; Messenger, Cassie; Michon, Anne-Marie; Mitchell, Darren; Preston, Alex; Prinjha, Rab K.; Rioja, Inmaculada; Taylor, Simon; Wall, Ian D.; Watson, Robert J.; Woolven, James M.; Demont, Emmanuel H. The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. Journal of medicinal chemistry, 2020
1558936	CIF	C24 H21 N3 O3	P 21 21 21	6.30648; 11.9372; 26.4614 90; 90; 90	1992.06	Qin, Le; Yi, Wenwen; Lian, Xiao-Yuan; Zhang, Zhizhen Bioactive Alkaloids from the Actinomycete Actinoalloteichus sp. ZZ1866 Journal of Natural Products, 2020
1558937	CIF	C12 H22 Ca O14	C 1 2 1	15.87; 5.876; 9.159 90; 99.55; 90	842.3	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes Polymer Chemistry, 2020, 11, 6308-6318
1558938	CIF	C43 H64 Cl2 N4 Rh2 Si2	C 1 2/c 1	17.8169; 14.6327; 17.7916 90; 93.5001; 90	4629.8	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes Polymer Chemistry, 2020, 11, 6308-6318
1558939	CIF	C18 H31 B Cl N2 Rh Si	P -1	7.1992; 9.338; 15.7215 89.392; 81.1228; 75.73	1011.6	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes Polymer Chemistry, 2020, 11, 6308-6318
1558940	CIF	C37 H58 N O2 Sc Si	P n a 21	15.2108; 24.5048; 9.7034 90; 90; 90	3616.82	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes Polymer Chemistry, 2020, 11, 6308-6318
1558941	CIF	C25 H41 Al Cl N O Si	P 1 21/n 1	13.0882; 14.3825; 14.3203 90; 104.34; 90	2611.68	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes Polymer Chemistry, 2020, 11, 6308-6318
1558942	CIF	C36 H56 N O2 Sc Si	P 1 21/n 1	11.597; 16.9523; 18.292 90; 103.407; 90	3498.13	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes Polymer Chemistry, 2020, 11, 6308-6318
1558943	CIF	C39 H62 Al N O2 Si	P -1	14.9848; 15.2025; 17.316 89.817; 84.546; 78.504	3847.6	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes Polymer Chemistry, 2020, 11, 6308-6318
1558944	CIF	C25 H41 Cl N O Sc Si	P -1	10.2397; 10.9358; 12.4015 89.006; 85.166; 67.359	1276.96	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes Polymer Chemistry, 2020, 11, 6308-6318
1558945	CIF	C54 H74 Cl2 N2 O2 Sc2 Si2	C 1 2/c 1	23.7263; 10.4153; 21.6239 90; 106.991; 90	5110.38	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes Polymer Chemistry, 2020, 11, 6308-6318
1558946	CIF	C33 H50 Al N O2 Si	P -1	9.115; 11.4654; 18.1231 75.161; 84.213; 69.169	1711.05	Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes Polymer Chemistry, 2020, 11, 6308-6318
1558948	CIF	Bi2.5 O6.83 Sr1.5	F d -3 m :2	11.0195; 11.0195; 11.0195 90; 90; 90	1338.09	Saiduzzaman, M.; Hossain, K.M.; Kumada, N.; Yanagida, S.; Takei, T.; Hanada, Y.; Nagao, M.; Azuma, M. Hydrothermal synthesis and crystal structure of a mixed-valence pyrochlore-type strontium bismuthate, (Sr0.75Bi0.25)2Bi2O6.83 Journal of the Ceramic Society of Japan, 2020, 128, 660-663
1558952	CIF	C56 H58 Co N4 O27 S20	P -1	12.498; 13.717; 22.91 102.965; 101.501; 99.116	3665	Shen, Yongbing; Yamashita, Masahiro; Breedlove, Brian. K.; Herrmann, Carmen; Uchida, Kaiji; Cosquer, Goulven; Ishikawa, Manabu; Otsuka, Akihiro; Yoshina, Shinji K.; Yoshida, Takefumi; Yamochi, Hideki; Katagiri, Seiu; Ito, Hiroshi; Zhang, Haitao Simultaneous Manifestations of Metallic Conductivity and Single-Molecule Magnetism in a Layered Molecule-based Compound Chemical Science, 2020
1558957	CIF	C44 H63 O2.5 P2	C 1 2 1	11.2099; 17.2004; 21.3573 90; 98.838; 90	4069.11	Qiu, Haile; Dai, Qiang; He, Jiafeng; Li, Wenbo; Zhang, Junliang Access to P-Chiral sec- and tert-Phosphine Oxides Enabled by Le-Phos-Catalyzed Asymmetric Kinetic Resolution Chemical Science, 2020
1558958	CIF	C11 H20 B10	P 1 21/c 1	7.7202; 21.9059; 9.0867 90; 98.1207; 90	1521.31	Zhang, Jie; Tang, Cen; Xie, Zuowei Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes Chemical Science, 2020
1558959	CIF	C13 H24 B10	P c a 21	18.2149; 8.1437; 12.0108 90; 90; 90	1781.64	Zhang, Jie; Tang, Cen; Xie, Zuowei Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes Chemical Science, 2020
1558960	CIF	C14 H26 B10	P 1 21/n 1	9.7246; 9.0634; 21.3352 90; 96.9612; 90	1866.58	Zhang, Jie; Tang, Cen; Xie, Zuowei Magnesium-Mediated sp3 C-H Activation in Cascade Cyclization of 1-Arylethynyl-2-Alkyl-o-Carboranes: Efficient Synthesis of Carborane-Fused Cyclopentanes Chemical Science, 2020
1558961	CIF	C33 H45 Cu13 I11 N12 O7	I -4 3 m	25.1585; 25.1585; 25.1585 90; 90; 90	15924.1	Gao, Yajun; Bai, Junfeng; Zhang, Lei; Gu, Yuming; Zhang, Wen-Wei; Pan, Yi; Fang, Wei-hai; Ma, Jing; Lan, Ya-Qian Formation of a Mixed-Valence Cu(I)/Cu(II) Metal-Organic Framework with the Full Light Spectrum and High Selectivity of CO2 Photoreduction into CH4 Chemical Science, 2020
1558962	CIF	C5 H4 Cu2 I2 N2 O2	C 1 2/c 1	13.4414; 10.3399; 15.1736 90; 106.964; 90	2017.1	Gao, Yajun; Bai, Junfeng; Zhang, Lei; Gu, Yuming; Zhang, Wen-Wei; Pan, Yi; Fang, Wei-hai; Ma, Jing; Lan, Ya-Qian Formation of a Mixed-Valence Cu(I)/Cu(II) Metal-Organic Framework with the Full Light Spectrum and High Selectivity of CO2 Photoreduction into CH4 Chemical Science, 2020
1558963	CIF	C20 H14 N2 O4	P 1 21 1	7.6121; 27.2894; 8.5005 90; 107.255; 90	1686.3	Kanbayashi, Naoya; Saegusa, Marina; Ishido, Yuki; Okamura, Taka-aki; Onitsuka, Kiyotaka Synthesis of an optically active polymer containing a planar phthalimide backbone by asymmetric polymerization Polymer Chemistry, 2020, 11, 6241-6250
1558965	CIF	C16 H18 O4	P 1 21/c 1	11.484; 9.814; 12.602 90; 96.815; 90	1410.3	Sarkar, Sujan K.; Ranaweera, R. A. A. Upul; Merugu, Rajkumar; Abdelaziz, Nayera M.; Robinson, Jendai E.; Day, Heidi A.; Krause, Jeanette A.; Gudmundsdottir, Anna D. Comparison of the Photochemistry of Acyclic and Cyclic 4-(4-Methoxy-Phenyl)-4-Oxo-but-2-Enoate Ester Derivatives. The journal of physical chemistry. A, 2020
1558966	CIF	C14 H12 O2 S	P 1 21/c 1	14.114; 5.0373; 17.2267 90; 98.575; 90	1211.07	He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides Chemical Science, 2020
1558967	CIF	C24 H28 Cl Ir O S	P 1 21/c 1	8.5119; 33.049; 8.1129 90; 105.969; 90	2194.2	He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides Chemical Science, 2020
1558968	CIF	C24 H27 Ir O S	P 1 21/n 1	10.993; 14.5354; 12.7588 90; 94.905; 90	2031.23	He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides Chemical Science, 2020
1558969	CIF	C18 H16 O5 S	P -1	4.9916; 12.1921; 13.9226 69.159; 87.173; 79.345	778.09	He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides Chemical Science, 2020
1558970	CIF	C14 H11 Br O S	P 1 21/c 1	10.9587; 15.1534; 7.3793 90; 98.891; 90	1210.69	He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides Chemical Science, 2020
1558971	CIF	C28 H27 Ag2 F6 Ir O5 S	P -1	9.9702; 12.7689; 13.1134 89.362; 73.47; 68.14	1476.92	He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides Chemical Science, 2020
1558972	CIF	C10 H6 Br2 O2 S3	P -1	5.8021; 10.4926; 10.9378 73.356; 87.222; 79.597	627.49	He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides Chemical Science, 2020
1558973	CIF	C10 H8 O S3	P 1 21/c 1	8.1465; 14.4371; 8.884 90; 100.673; 90	1026.79	He, Chuan; Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie Lewis Acid-Assisted Ir(III) Reductive Elimination Enables Construction of Seven-Membered-Ring Sulfoxides Chemical Science, 2020
1558974	CIF	C12 H7 F5 O2	C 1 c 1	7.4348; 23.1324; 20.2671 90; 90.377; 90	3485.6	Gerthoffer, Margaret C.; Wu, Sikai; Chen, Bo; Wang, Tao; Huss, Steven; Oburn, Shalisa M.; Crespi, Vincent; Badding, John; Elacqua, Elizabeth ‘Sacrificial’ Supramolecular Assembly and Pressure-Induced Polymerization: Toward Sequence-Defined Functionalized Nanothreads Chemical Science, 2020
1558975	CIF	C64 H55 Cl8 O2.3 Os P3	P -1	12.5033; 14.0801; 18.7137 80.333; 80.005; 72.223	3066.3	Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity Chemical Science, 2020
1558976	CIF	C65 H55 I2 O2 Os P3	P 1 21/n 1	13.5717; 12.2204; 38.228 90; 96.838; 90	6295.08	Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity Chemical Science, 2020
1558977	CIF	C69 H59 Cl2 O4 P3 Ru	P -1	18.0079; 18.6935; 24.9721 95.726; 110.761; 102.104	7545.1	Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping Extension of Simmons–Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity Chemical Science, 2020
1558978	CIF	C66 H57 B Cl7 F4 O Os P3	P -1	13.7995; 15.4786; 18.2124 65.195; 73.676; 78.005	3370.8	Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity Chemical Science, 2020
1558979	CIF	C67 H59 I2 O2 Os P3	P 1 21/n 1	18.5224; 12.6665; 29.5255 90; 102.222; 90	6770.09	Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity Chemical Science, 2020
1558980	CIF	C70 H57 Cl8 O Os P3	P -1	12.0312; 17.2019; 19.2444 106.991; 103.843; 105.956	3433.9	Huang, Fanping; Zheng, Xuejuan; Lin, Xinlei; Ding, Lin-Ting; Zhuo, Qingde; Wen, Ting-Bin; Zhang, Hong; Xia, Haiping Extension of Simmons‒Smith Reaction to Metal-Carbynes: Efficient Synthesis of Metallacyclopropenes with σ-Aromaticity Chemical Science, 2020
1558981	CIF	C15 H31 N2 O7.5	C 1 2 1	16.87; 5.77; 19.89 90; 105.9; 90	1862	Bellotto, Ottavia; Kralj, Slavko; De Zorzi, Rita; Geremia, Silvano; Marchesan, Silvia Supramolecular hydrogels from unprotected dipeptides: a comparative study on stereoisomers and structural isomers. Soft matter, 2020, 16, 10151-10157
1558982	CIF	C256.5 H230 B8 Cl3 F32 N8 O10	P -1	17.7648; 18.0515; 22.0097 77.093; 66.749; 62.317	5735.6	Chen, Kongqi; Zhang, Rongyuan; Li, Ganggang; Li, Baoxi; Ma, Yao; Sun, Ming; Wang, Zhiming; Tang, Ben Zhong Photo-induced crystallization with emission enhancement (PICEE) Materials Horizons, 2020, 7, 3005-3010
1558983	CIF	C93 H119 B Co N4 O P3 Zr	P -1	12.7732; 12.9749; 28.77 87.197; 83.485; 77.866	4629.9	Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center Chemical Science, 2020
1558984	CIF	C87 H114 Co F3 N4 O P3 Zr	R 3 :H	20.3878; 20.3878; 16.4288 90; 90; 120	5913.9	Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center Chemical Science, 2020
1558985	CIF	C110 H192 Co2 N8 Na2 O2 P6 Zr2	P 1 21/c 1	15.7918; 16.3859; 24.043 90; 103.39; 90	6052.3	Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center Chemical Science, 2020
1558986	CIF	C82 H96.99 B Co F24 I0.01 N4 O P3 Zr	P -1	13.4865; 15.0867; 24.2764 73.132; 81.938; 89.151	4678.5	Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center Chemical Science, 2020
1558987	CIF	C79 H102.5 Cl Co F2.5 N3 O P3 Zr	P -1	12.8096; 17.9356; 18.3046 86.395; 72.314; 75.548	3879.5	Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center Chemical Science, 2020
1558988	CIF	C50 H85 Co N4 O P3 Zr	C 1 2/c 1	36.531; 17.8638; 23.9107 90; 108.239; 90	14819.8	Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center Chemical Science, 2020
1558989	CIF	C62 H94 Co F9 N4 P4 Zr	P 1 21/n 1	15.3643; 19.0177; 22.7503 90; 95.377; 90	6618.2	Thomas, Christine M.; Zhang, Hongtu; Hatzis, Gregory P.; Moore, Curtis; Dickie, Diane Amanda Redox chemistry and H-atom abstraction reactivity of a terminal zirconium(IV) oxo compound mediated by an appended cobalt(I) center Chemical Science, 2020
1558990	CIF	C22 H21 N O2 S	P 1 21/c 1	6.9149; 7.8607; 34.1007 90; 95.247; 90	1845.81	Thadkapally, Srinivas; Farshadfar, Kaveh; Drew, Melanie; Richardson, Christopher; Ariafard, Alireza; Pyne, Stephen G.; Hyland, Christopher James Timothy Rhodium-Catalyzed Tetradehydro-Diels–Alder Reactions of Enediynes via a Rhodium-stabilized Cyclic Allene Chemical Science, 2020
1558991	CIF	C62 H44 Fe N8 O8 S2	C 1 2/c 1	26.951; 10.8492; 21.899 90; 125.39; 90	5220.1	SUGIYAMA, Haruki; UEKUSA, Hidehiro Crystal Structure and Chromic Properties of an Iron(II) Complex Salt of a <i>N</i>-Salicylideneaniline Derivative X-ray Structure Analysis Online, 2020, 36, 31-32
1558992	CIF	C22 H32 B N O4	P -1	11.929; 16.833; 11.259 93.75; 91; 100.37	2218	TOMBUL, Mustafa; BIYIKOGLU, Mutluhan; BULUT, Adnan; GÜVEN, Kutalmis; ISILAR, Özer Synthesis and Crystal Structure Determination of a Dimeric Complex of Dimethylammoniumbis(<i>p-tert</i>-butylcatecholato) borate X-ray Structure Analysis Online, 2020, 36, 27-29
1558993	CIF	C62 H53 Ag2 N9 O6 P4	P 1 21/n 1	9.2947; 18.5982; 18.3144 90; 90.534; 90	3165.78	Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G. Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine Inorganics, 2020, 8, 46
1558994	CIF	C36 H34 Ag2 B2 F8 N6 P2	P 21 21 21	13.2478; 15.6986; 19.701 90; 90; 90	4097.25	Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G. Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine Inorganics, 2020, 8, 46
1558995	CIF	C76 H92 B2 F8 Fe N8 P4	P 21 21 21	13.7178; 20.452; 27.659 90; 90; 90	7759.9	Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A. Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes. Molecules (Basel, Switzerland), 2020, 25, 3775
1558996	CIF	C249 H294 B5 F20 Fe3 N12 O15 P12	P 3 2 1	22.651; 22.651; 15.3431 90; 90; 120	6817.4	Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A. Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes. Molecules (Basel, Switzerland), 2020, 25, 3775
1559007	CIF	C27 H31 N3 O5	C 1 2 1	35.823; 6.493; 11.1674 90; 106.69; 90	2488.1	Qi, Changxing; Tan, Xiaosheng; Shi, Zhengyi; Feng, Hao; Sun, Lingjuan; Hu, Zhengxi; Chen, Gang; Zhang, Yonghui Discovery of an Oxepine-Containing Diketopiperazine Derivative Active against Concanavalin A-Induced Hepatitis. Journal of natural products, 2020, 83, 2672-2678
1559008	CIF	C24 H18 O	C 1 2/c 1	29.083; 9.001; 13.882 90; 103.729; 90	3530	Tan, Bojun; Liu, Long; Zheng, Huayu; Cheng, Tianyi; Zhu, Dianhu; Yang, Xiaofeng; Luan, Xinjun Two-in-One Strategy for Fluorene-Based Spirocycles via Pd(0)-Catalyzed Spiroannulation of o-Iodobiaryls with Bromonaphthols Chemical Science, 2020
1559009	CIF	C23 H15 Br O2	P 1 21/n 1	8.218; 12.135; 18.051 90; 98.865; 90	1778.6	Tan, Bojun; Liu, Long; Zheng, Huayu; Cheng, Tianyi; Zhu, Dianhu; Yang, Xiaofeng; Luan, Xinjun Two-in-One Strategy for Fluorene-Based Spirocycles via Pd(0)-Catalyzed Spiroannulation of o-Iodobiaryls with Bromonaphthols Chemical Science, 2020
1559010	CIF	C54 H49 B N6 Ni Sn	R -3 :H	12.3186; 12.3186; 49.0829 90; 90; 120	6450.4	Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E. Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes Chemical Science, 2020
1559011	CIF	C30 H28 B Cl N6 Zn	P 1 21/n 1	11.0364; 15.2242; 16.1001 90; 94.548; 90	2696.6	Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E. Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes Chemical Science, 2020
1559012	CIF	C54 H49 B N6 Sn Zn	R -3 :H	12.3859; 12.3859; 48.7382 90; 90; 120	6475.2	Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E. Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes Chemical Science, 2020
1559013	CIF	C54 H49 B Fe N6 Sn	R -3 :H	12.3722; 12.3722; 48.7964 90; 90; 120	6468.6	Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E. Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes Chemical Science, 2020
1559014	CIF	C30 H28 B Cl Mn N6	R 3 c :H	12.023; 12.023; 32.558 90; 90; 120	4075.8	Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E. Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes Chemical Science, 2020
1559015	CIF	C54 H49 B Mn N6 Sn	R -3 :H	12.3824; 12.3824; 49.104 90; 90; 120	6520.1	Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E. Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes Chemical Science, 2020
1559016	CIF	C17 H17 F N2 O S	P -1	9.707; 12.3991; 13.7578 110.62; 90.804; 101.885	1509.77	Lai, Zengwei; Zhang, Renwei; Feng, Qiang; Sun, Jianwei 3-Aminooxetanes: versatile 1,3-amphoteric molecules for intermolecular annulation reactions Chemical Science, 2020
1559017	CIF	C17 H18 N2 O2	P 1 21/n 1	10.7941; 9.6492; 14.6149 90; 109.529; 90	1434.64	Lai, Zengwei; Zhang, Renwei; Feng, Qiang; Sun, Jianwei 3-Aminooxetanes: versatile 1,3-amphoteric molecules for intermolecular annulation reactions Chemical Science, 2020
1559018	CIF HKL Paper	C10 H32 Cl2 N4 Ni O2	F d d 2	24.7168; 16.6156; 8.3805 90; 90; 90	3441.7	Miecznikowski, John R.; Jasinski, Jerry P.; Flaherty, Nicole F.; Mircovich, Emma E.; Smolinsky, Allison N.; Bertolotti, Natalia R. <i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride IUCrData, 2020, 5, x201182
1559019	CIF HKL Paper	C11 H11 N O2	P 1 21/c 1	5.5622; 18.891; 9.6524 90; 104.454; 90	982.1	Lynch, Will E.; Whitlock, Christine R.; Padgett, Clifford W. Ethyl 1<i>H</i>-indole-2-carboxylate IUCrData, 2020, 5, x201205
1559020	CIF HKL Paper	C27 H38 O4	P 21 21 21	7.4768; 16.219; 19.4101 90; 90; 90	2353.8	Guerrero-Luna, Gabriel; Reyes Melchor, Jaquelin; Bernès, Sylvain; Hernández-Linares, María-Guadalupe Diosgenin-3,6-dione: second polymorph in space group <i>P</i>2~1~2~1~2~1~ IUCrData, 2020, 5, x201200
1559021	CIF HKL Paper	C116 H112 O16 Os4 P4	P 1 21/c 1	12.71423; 17.04149; 26.1784 90; 96.7054; 90	5633.26	Zometa Paniagua, Diego F.; Powell, Gregory L.; Powell, Cynthia B.; Reinheimer, Eric W. Bis(μ~4~-adamantane-1,3-dicarboxylato-1κ<i>O</i>^1^:2κ<i>O</i>^1'^:3κ<i>O</i>^3^:4κ<i>O</i>^3'^)octacarbonyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-tetrakis[tris(4-methylphenyl)phosphane]-1κ<i>P</i>,2κ<i>P</i>,3κ<i>P</i>,4κ<i>P</i>-tetraosmium(I)(2 <i>Os</i>‒<i>Os</i>) IUCrData, 2020, 5, x201204
1559022	CIF HKL Paper	C27 H18 N2	P 1 21/n 1	9.642; 11.407; 17.858 90; 103.606; 90	1909	Chen, Lin; Hu, Jin; Wu, Li-Li; Sun, Hong-Shun 11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline IUCrData, 2020, 5, x201213
1559023	CIF HKL Paper	C20 H16 O3	P 1 21/n 1	12.4519; 7.8785; 15.668 90; 105.253; 90	1482.92	Sung, Jiha 3-(2-Methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one IUCrData, 2020, 5, x201209
1559028	CIF	C48 H98.03 B4 K O8 Re	P -1	11.2627; 15.9727; 16.0123 96.714; 91.29; 102.351	2791.22	Donnelly, Liam J.; Parsons, Simon; Morrison, Carole A.; Thomas, Stephen P.; Love, Jason B. Synthesis and structures of anionic rhenium polyhydride complexes of boron‒hydride ligands and their application in catalysis Chemical Science, 2020
1559029	CIF	C34 H77 B3 K O14 Re	C 1 2/c 1	13.716; 23.102; 14.7725 90; 91.81; 90	4678.6	Donnelly, Liam J.; Parsons, Simon; Morrison, Carole A.; Thomas, Stephen P.; Love, Jason B. Synthesis and structures of anionic rhenium polyhydride complexes of boron‒hydride ligands and their application in catalysis Chemical Science, 2020
1559030	CIF	C19 H21 N3 O S2	P 1 21/c 1	13.387; 5.4878; 24.641 90; 90.13; 90	1810.3	Castellano, Ronald K.; Kornman, Cory T.; Li, Lei; Weldeab, Asmerom O.; Ghiviriga, Ion; Abboud, Khalil A. Photoisomerization of Dicyanorhodanine-Functionalized Thiophenes Chemical Science, 2020
1559031	CIF	C218 H159 F48 Fe10 N49 O32 S16	P 1 21/c 1	26.651; 27.05; 36.959 90; 98.81; 90	26330	Plajer, Alex J.; Rizzuto, Felix; von Krbek, Larissa K. S.; Gisbert, Yohan; Martínez-Agramunt, Víctor; Nitschke, Jonathan Oxidation triggers guest dissociation during reorganization of an FeII4L6 twisted parallelogram Chemical Science, 2020
1559032	CIF	C26 H18 S2	P 1 21/c 1	12.3046; 8.9443; 9.132 90; 98.241; 90	994.65	Dekkiche, Hervé; Gemma, Andrea; Tabatabaei, Fatemeh; Batsanov, Andrei S.; Niehaus, Thomas; Gotsmann, Bernd; Bryce, Martin R. Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives. Nanoscale, 2020, 12, 18908-18917
1559033	CIF	C34 H22 S2	P 1 21/c 1	9.7811; 23.2361; 11.2452 90; 108.171; 90	2428.29	Dekkiche, Hervé; Gemma, Andrea; Tabatabaei, Fatemeh; Batsanov, Andrei S.; Niehaus, Thomas; Gotsmann, Bernd; Bryce, Martin R. Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives. Nanoscale, 2020, 12, 18908-18917
1559040	CIF	C23 H19 Cl N2 Pd	P 1 21/n 1	8.491; 20.059; 11.557 90; 94.884; 90	1961.3	Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer Macromolecules, 2020, 53, 7783-7794
1559041	CIF	C18 H17 Cl N2 Pd	P 1 21/c 1	12.9481; 12.0822; 11.108 90; 114.126; 90	1585.96	Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer Macromolecules, 2020, 53, 7783-7794
1559042	CIF	C22 H19 Cl3 N2 Pd	P 1 21/n 1	11.747; 8.75; 20.833 90; 103.795; 90	2079.6	Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer Macromolecules, 2020, 53, 7783-7794
1559043	CIF	C17.5 H16 Cl2 N2 Pd	P 1 21/c 1	11.839; 9.79; 15.847 90; 111.699; 90	1706.6	Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer Macromolecules, 2020, 53, 7783-7794
1559044	CIF	C22 H19 Cl N2 Pd	P b c a	8.939; 10.618; 38.547 90; 90; 90	3658.7	Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer Macromolecules, 2020, 53, 7783-7794
1559045	CIF	C18 H17 Cl3 N2 Pd	P 21 21 21	7.516; 12.357; 19.84 90; 90; 90	1843	Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer Macromolecules, 2020, 53, 7783-7794
1559046	CIF	C20 H28 As Au F6 N2	P 4/m n c	12.741; 12.741; 13.871 90; 90; 90	2251.7	Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L. Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals. Chemical Science, 2020
1559047	CIF	C20 H28 Au F6 N2 Sb	P 4/m n c	12.948; 12.948; 13.943 90; 90; 90	2337.6	Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L. Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals. Chemical Science, 2020
1559048	CIF	C46 H34 Au B F24 N2	C 1 2/c 1	23.708; 9.1838; 23.643 90; 114.129; 90	4698	Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L. Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals. Chemical Science, 2020
1559049	CIF	C18 H14 Cl N O	P 21 21 21	7.1789; 8.6698; 24.751 90; 90; 90	1540.5	Sun, Chao; Qi, Xiaotian; Min, Xiao-Long; Bai, Xue-Dan; Liu, Peng; He, Ying Asymmetric allylic substitution–isomerization to axially chiral enamides via hydrogen-bonding assisted central-to-axial chirality transfer Chemical Science, 2020
1559050	CIF	C19 H17 N O2	P 1 21 1	8.9647; 9.7465; 9.235 90; 110.225; 90	757.15	Sun, Chao; Qi, Xiaotian; Min, Xiao-Long; Bai, Xue-Dan; Liu, Peng; He, Ying Asymmetric allylic substitution–isomerization to axially chiral enamides via hydrogen-bonding assisted central-to-axial chirality transfer Chemical Science, 2020
1559051	CIF	C31 H57 B2 N5	P 1 21/c 1	18.2371; 9.7175; 19.5071 90; 111.276; 90	3221.4	Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger Phosphinoborylenes as stable sources of fleeting borylenes Chemical Science, 2020
1559052	CIF	C37 H65 B2 N5	P -1	9.71; 11.4; 18.312 88.07; 79.88; 65.914	1820.1	Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger Phosphinoborylenes as stable sources of fleeting borylenes Chemical Science, 2020
1559053	CIF	C27 H52 B2 N3 P	P 1 21/c 1	19.3664; 9.5507; 15.9131 90; 92.197; 90	2941.2	Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger Phosphinoborylenes as stable sources of fleeting borylenes Chemical Science, 2020
1559054	CIF	C30 H48 B2 N3 Te	P -1	9.5211; 15.981; 20.203 91.628; 90.566; 91.556	3071.5	Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger Phosphinoborylenes as stable sources of fleeting borylenes Chemical Science, 2020
1559055	CIF	C31 H53 B2 N5	P 1 21/c 1	12.0336; 16.4117; 16.9907 90; 109.529; 90	3162.5	Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger Phosphinoborylenes as stable sources of fleeting borylenes Chemical Science, 2020
1559056	CIF	C30 H48 B2 N3 Se	P -1	9.5614; 15.9406; 19.9983 92.415; 90.487; 91.622	3044	Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger Phosphinoborylenes as stable sources of fleeting borylenes Chemical Science, 2020
1559057	CIF	C29 H28 O4	P 1 21 1	9.7052; 16.6173; 15.6111 90; 107.433; 90	2402	Zhu, Zhou-Hao; Ding, Yi-Xuan; Wu, Bo; Zhou, Yong-Gui Design and Synthesis of Chiral and Regenerable [2.2]Paracyclophane-Based NAD(P)H Models and Application in Biomimetic Reduction of Flavonoids Chemical Science, 2020
1559058	CIF	C30 H30 O5	P 21 21 21	6.6633; 19.2862; 19.419 90; 90; 90	2495.53	Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes Chemical Science, 2020
1559059	CIF	C41 H37 Cl3 N4 O7	P 1 21 1	13.3144; 9.8595; 14.5355 90; 95.339; 90	1899.8	Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes Chemical Science, 2020
1559060	CIF	C34 H30 O6	P 1 21 1	6.6786; 19.494; 21.437 90; 92.008; 90	2789.2	Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes Chemical Science, 2020
1559061	CIF	C31 H26 Br Cl2 S Sb	P -1	9.1739; 11.503; 14.471 91.549; 92.383; 113.406	1398.6	Park, Gyeongjin; Gabbaï, François P. Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport Chemical Science, 2020
1559062	CIF	C30 H24 B F4 S Sb	P 21 21 21	7.9877; 15.558; 21.445 90; 90; 90	2665	Park, Gyeongjin; Gabbaï, François P. Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport Chemical Science, 2020
1559063	CIF	C33 H30 Br S Sb	P 1 21/n 1	16.7041; 10.2829; 17.9121 90; 107.86; 90	2928.4	Park, Gyeongjin; Gabbaï, François P. Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport Chemical Science, 2020
1559064	CIF	C33 H30 B F4 S Sb	C 1 2/c 1	20.555; 12.162; 24.558 90; 101.94; 90	6006.43	Park, Gyeongjin; Gabbaï, François P. Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport Chemical Science, 2020
1559065	CIF	C64 H58 B3 Cl4 F13 S2 Sb2	P 1 2/n 1	15.494; 10.9891; 19.761 90; 110.566; 90	3150.2	Park, Gyeongjin; Gabbaï, François P. Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport Chemical Science, 2020
1559070	CIF	C640 H644 B24 Cd12 F96 N188 O4	F 2 3	42.9589; 42.9589; 42.9589 90; 90; 90	79279.2	Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D. A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces Chemical Science, 2020
1559071	CIF	C504 H472 B24 Cd12 F96 N120 O20	C 1 2/c 1	89.68; 24.7801; 51.463 90; 147.82; 90	60909	Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D. A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces Chemical Science, 2020
1559072	CIF	C560 H556 B24 Cd12 F96 N148 O20	P 1 21/n 1	26.5845; 53.3766; 44.0442 90; 94.842; 90	62275	Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D. A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces Chemical Science, 2020
1559073	CIF	C12 H2.5 O4 S8	P 1 21/m 1	3.7464; 11.8946; 20.2094 90; 93.506; 90	898.88	Kobayashi, Yuka; Hirata, Kazuto; Hood, Samantha; Yang, Hui; Walsh, Aron; Matsushita, Yoshitaka; Ishioka, Kunie Crystal structure and metallization mechanism of the π-radical metal TED Chemical Science, 2020
1559074	CIF HKL Paper	C27 H19 F2 N	P -1	9.394; 9.802; 11.914 88.983; 73.144; 69.488	979	Fang, Yiwen; Liu, Bingbing; Jia, Zhixiang 6-(3,4-Difluorophenyl)-7,8,13,14-tetrahydrodibenzo[<i>c</i>,<i>k</i>]phenanthridine IUCrData, 2020, 5, x201241
1559075	CIF HKL Paper	C28 H24 Co F6 Fe2 O6	P -1	7.725; 12.721; 14.609 70.67; 82.88; 80.46	1332.3	Wang, Shujing; Han, Heguo; Han, Yuyang Diaquabis(4-ferrocenyl-1,1,1-trifluoro-4-oxobutan-2-olato)cobalt(II) IUCrData, 2020, 5, x201240
1559081	CIF	C27 H45 O4.5	P 1 21 1	11.3797; 8.082; 28.058 90; 99.811; 90	2542.8	Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A. trans-Hydroboration–oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism Chemical Science, 2020, 11, 12764-12768
1559082	CIF	C27 H48 O2	P 21 21 21	8.3599; 10.7489; 28.4769 90; 90; 90	2558.93	Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A. trans-Hydroboration–oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism Chemical Science, 2020, 11, 12764-12768
1559083	CIF	C27 H47 D O2	P 21 21 21	8.1858; 10.4115; 30.9258 90; 90; 90	2635.7	Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A. trans-Hydroboration–oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism Chemical Science, 2020, 11, 12764-12768
1559084	CIF	C27 H44 O4	P 21 21 21	8.2099; 9.1989; 32.4182 90; 90; 90	2448.29	Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A. trans-Hydroboration–oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism Chemical Science, 2020, 11, 12764-12768
1559089	CIF	C22 H30 Cl Ir N O	P 1 21/c 1	10.4344; 12.4456; 16.3498 90; 96.795; 90	2108.31	Shimizu, Hideo; Maeda, Hironori; Nara, Hideki Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System Organic Process Research & Development, 2020
1559090	CIF	C22 H30 Cl Ir N O2	P 1 21/n 1	8.6176; 9.8322; 26.348 90; 96.471; 90	2218.24	Shimizu, Hideo; Maeda, Hironori; Nara, Hideki Highly Productive α-Alkylation of Ketones with Alcohols Mediated by an Ir‒Oxalamidato/Solid Base Catalyst System Organic Process Research & Development, 2020
1559091	CIF	C30 H31 Cl4 N O4 S	P 1 21/c 1	7.68126; 22.6995; 17.94 90; 95.2798; 90	3114.76	Lv, Mengya; Zhang, Yanhao; Fan, Jiayi; Yang, Yanyun; Chen, Sheng; Liang, Gaolin; Zhang, Shusheng A near-infrared fluorescent probe for ratiometric sensing of SO2 in cells and zebrafish The Analyst, 2020
1559092	CIF HKL Paper	C12 H16 Cl2 N8 O4	P 1 21/c 1	13.2096; 4.9765; 13.5673 90; 98.603; 90	881.85	Chakkarapani, Nandhini; Murugan, Suganya; Ibrahim, Abdul Razak; Kavitha, Savaridasan Jose; Hemamalini, Madhukar; Rajakannan, Venkatachalam 2,6-Diamino-4-chloropyrimidine–succinic acid (2/1) IUCrData, 2020, 5, x201239
1559093	CIF HKL Paper	C20 H14 N6	P 1 21/c 1	8.4636; 9.8402; 22.701 90; 105.917; 90	1818.1	Cai, Changting; Lin, Bicheng; Wu, Wenxuan; Zhu, Qingwei (3<i>Z</i>,5<i>E</i>)-2-Amino-4,6-bis(pyridin-3-yl)hepta-1,3,5-triene-1,1,3-tricarbonitrile IUCrData, 2020, 5, x201246
1559094	CIF	C20 H25 O5.5	P 1 21 1	7.7633; 10.4691; 22.3209 90; 90.211; 90	1814.11	Zhang, Xing-Jie; Zhong, Wei-Mao; Liu, Rui-Xue; Wang, Yong-Mei; Luo, Ting; Zou, Yan; Qin, Hua-Yan; Li, Xiao-Li; Zhang, Ruihan; Xiao, Wei-Lie Structurally Diverse Labdane Diterpenoids from <i>Leonurus japonicus</i> and Their Anti-inflammatory Properties in LPS-Induced RAW264.7 Cells. Journal of natural products, 2020, 83, 2545-2558
1559095	CIF	C22 H32 O6	P 21 21 21	9.4086; 11.8075; 18.603 90; 90; 90	2066.65	Zhang, Xing-Jie; Zhong, Wei-Mao; Liu, Rui-Xue; Wang, Yong-Mei; Luo, Ting; Zou, Yan; Qin, Hua-Yan; Li, Xiao-Li; Zhang, Ruihan; Xiao, Wei-Lie Structurally Diverse Labdane Diterpenoids from <i>Leonurus japonicus</i> and Their Anti-inflammatory Properties in LPS-Induced RAW264.7 Cells. Journal of natural products, 2020, 83, 2545-2558
1559096	CIF	C11 H15 B Br F3 N2 O2	C 1 2/c 1	20.0884; 7.2756; 20.7899 90; 99.331; 90	2998.3	Tairov, Maxim A.; Levchenko, Vitalina; Stadniy, Ivan A.; Dmytriv, Yurii V.; Dehtiarov, Serhii O.; Kibalnyi, Mykola O.; Melnyk, Anton V.; Veselovych, Stanislav Y.; Borodulin, Yurii V.; Kolotilov, Sergey V.; Ryabukhin, Sergey V.; Volochnyuk, Dmitriy M. Practical Synthetic Method for Functionalized 1-Methyl-3/5-(trifluoromethyl)-1H-pyrazoles Organic Process Research & Development, 2020
1559097	CIF	C25 H19 N	P 1 21/n 1	8.7417; 11.0177; 19.073 90; 101.123; 90	1802.48	Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L. Triarylborane catalysed N-alkylation of amines with aryl esters Catalysis Science & Technology, 2020, 10, 7523-7530
1559098	CIF	C23 H19 F2 N	P 1 21/c 1	8.9007; 11.1893; 18.1967 90; 93.764; 90	1808.35	Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L. Triarylborane catalysed N-alkylation of amines with aryl esters Catalysis Science & Technology, 2020, 10, 7523-7530
1559099	CIF	C52 H62 Si2	P -1	7.7; 8.2465; 17.9156 89.138; 79.878; 75.346	1082.95	Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character Chemical Science, 2020
1559100	CIF	C78 H90 Si2	P -1	8.8789; 12.7356; 14.6701 99.626; 104.748; 98.811	1547.94	Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character Chemical Science, 2020
1559101	CIF	C52 H60 O Si2	P -1	11.6952; 12.3024; 18.2803 72.922; 72.859; 66.635	2259.89	Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character Chemical Science, 2020
1559102	CIF	C60 H66 Si2	P 1 21/c 1	8.1631; 13.8454; 21.1693 90; 91.995; 90	2391.13	Jousselin-Oba, Tanguy; Mamada, Masashi; Okazawa, Atsushi; Marrot, Jérome; Ishida, Takayuki; Adachi, Chihaya; Yassar, Abderrahim; Frigoli, Michel Modulating the ground state, stability and charge transport in OFETs of biradicaloid Hexahydro-diindenopyrene derivatives and a proposed method to estimate the biradical character Chemical Science, 2020
1559103	CIF	C73.5 H92 N4 O4 Si2	P -1	12.4231; 13.9327; 21.1782 96.811; 101.236; 108.67	3341	Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors Chemical Science, 2020
1559104	CIF	C154 H176 Br4 F8 N8 O8 Si4	C 1 2/c 1	26.37; 26.4347; 24.2245 90; 120.504; 90	14549	Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors Chemical Science, 2020
1559105	CIF	C154 H184 Br4 N8 O8 Si4	P -1	18.8621; 25.042; 34.0452 74.283; 77.959; 68.381	14284.1	Zhang , Guowei; Zhang, Lei; Lv, Aifeng; Yang, Xingzhou; Zheng, Yonghao; Gu, Wen; Xue, Ning Regiocontrolled Dimerization of Asymmetric Diazaheptacene Derivatives Toward X-shaped Porous Semiconductors Chemical Science, 2020
1559106	CIF	C28 H22 Fe O2 S	P 1 21/c 1	10.2793; 20.7357; 10.878 90; 104.681; 90	2242.93	Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property Chemical Science, 2020
1559107	CIF	C32 H30 Fe N O1.5	P b c n	13.4843; 14.5316; 26.5664 90; 90; 90	5205.6	Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property Chemical Science, 2020
1559108	CIF	C34 H27 Fe N O S	P 1 21/n 1	8.89899; 15.8901; 19.5785 90; 97.0681; 90	2747.48	Yan, Lipeng; Lan, Jingbo; Cheng, Hu; Li, Yihang; Zhang, Mangang; Wu, Di; You, Jingsong Regioselective addition/annulation of ferrocenyl thioamides with 1,3-diynes via a sulfur-transfer rearrangement to construct extended π-conjugated ferrocenes with luminescent property Chemical Science, 2020
1559109	CIF	C30 H38 O9	P 21 21 21	7.402; 13.4298; 26.9766 90; 90; 90	2681.67	Wang, Cheng; Li, Shang; Zhao, Jinhua; Yang, Huali; Yin, Fucheng; Ding, Ming; Luo, Jianguang; Wang, Xiao-Bing; Kong, Ling-Yi Design and SAR of withangulatin A analogs that act as covalent TrxR inhibitors through Michael addition reaction showing potential in cancer treatment. Journal of medicinal chemistry, 2020
1559110	CIF	C14 H13 F3 N2 O3	P -1	7.3618; 14.3967; 14.8046 64.933; 83.768; 83.692	1409.33	Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement Chemical Science, 2020
1559111	CIF	C18 H18 F3 N O2	P 21 21 21	6.2073; 7.638; 34.6279 90; 90; 90	1641.76	Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement Chemical Science, 2020
1559112	CIF	C24 H25 F3 N2 O3	P 1 21 1	12.227; 15.501; 12.834 90; 100.74; 90	2389.8	Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement Chemical Science, 2020
1559113	CIF	C65 H89 In N2 O3 P2	P 1 21/c 1	15.1464; 16.9612; 26.1549 90; 103.943; 90	6521.25	Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K. Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations Catalysis Science & Technology, 2020, 10, 7226-7239
1559114	CIF	C50 H74 N2 O2 P2	P -1	11.4385; 15.3688; 15.4343 83.413; 78.85; 78.526	2600.66	Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K. Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations Catalysis Science & Technology, 2020, 10, 7226-7239
1559115	CIF	C57 H85 In N2 O5 P2	P 21 21 21	11.128; 18.2363; 30.9376 90; 90; 90	6278.28	Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K. Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations Catalysis Science & Technology, 2020, 10, 7226-7239
1559116	CIF	C65 H87 In N2 O4 P2	P n a 21	20.6809; 18.5748; 15.7154 90; 90; 90	6036.97	Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K. Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations Catalysis Science & Technology, 2020, 10, 7226-7239
1559117	CIF	C63 H102 In N2 O3 P2	P 1 21/n 1	10.9894; 28.7519; 19.81 90; 91.214; 90	6257.9	Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K. Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations Catalysis Science & Technology, 2020, 10, 7226-7239
1559118	CIF	C52 H77 In N2 O3 P2	P -1	14.2993; 14.3196; 17.8201 105.16; 107.065; 96.826	3290.3	Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K. Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations Catalysis Science & Technology, 2020, 10, 7226-7239
1559119	CIF	C15 H16 Au F6 N2 P S2	P 21 21 21	7.7242; 11.1154; 21.8365 90; 90; 90	1874.83	Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G. Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates Chemical Science, 2020
1559120	CIF	C18 H18 Au F6 N2 O P S2	P 1 21/c 1	24.858; 7.8812; 21.855 90; 97.33; 90	4246.6	Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G. Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates Chemical Science, 2020
1559121	CIF	C26 H30 Au F6 N3 O1.5 P S2	P -1	9.7833; 10.9241; 13.6127 104.794; 90.616; 93.105	1404.09	Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G. Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates Chemical Science, 2020
1559122	CIF	C18 H20 Au F6 N2 P S2	P n a 21	14.475; 17.9946; 8.0979 90; 90; 90	2109.27	Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G. Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates Chemical Science, 2020
1559123	CIF	C17 H20 Au F6 N2 P S2	P n a 21	14.1989; 18.1306; 8.1046 90; 90; 90	2086.4	Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G. Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates Chemical Science, 2020
1559124	CIF HKL Paper	C40 H36 B2 N4 O5	P 1 21/c 1	16.7584; 13.6696; 16.0291 90; 111.125; 90	3425.2	Mallard, Hannah H.; Kennedy, Nicholas D.; Rudman, Nathan A.; Greenwood, Alexa M.; Nicoleau, Jonathan; Angle, Corey E.; Torquato, Nicole A.; Gau, Micheal R.; Carroll, Patrick J.; Anstey, Mitchell R. 2,2'-Oxybis[1,3-bis(4-methoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3,2]diazaborole] IUCrData, 2020, 5, x201248
1559125	CIF	C11 H18 N5 O4 P	P 1 21/c 1	6.5143; 26.599; 7.9568 90; 101.771; 90	1349.7	Connor, Christina G.; DeForest, Jacob C.; Dietrich, Phil; Do, Nga M.; Doyle, Kevin M.; Eisenbeis, Shane; Greenberg, Elizabeth; Griffin, Sarah H.; Jones, Brian P.; Jones, Kris N.; Karmilowicz, Michael; Kumar, Rajesh; Lewis, Chad A.; McInturff, Emma L.; McWilliams, J. Christopher; Mehta, Ruchi; Nguyen, Bao D.; Rane, Anil M.; Samas, Brian; Sitter, Barbara J.; Ward, Howard W.; Webster, Mark E. Development of a Nitrene-Type Rearrangement for the Commercial Route of the JAK1 Inhibitor Abrocitinib Organic Process Research & Development, 2020
1559129	CIF	C18 H13 N O5	P -1	10.618; 12.162; 13.204 94.952; 110.78; 115.495	1380	Ohta, Shinji; Oshimo, Shiori; Ohta, Emi; Nehira, Tatsuo; Ômura, Hisashi; Uy, Mylene M.; Ishihara, Yasuhiro Asaroidoxazines from the Roots of Asarum asaroides Induce Apoptosis in Human Neuroblastoma Cells Journal of Natural Products, 2020
1559130	CIF	C21 H20 N2 O8 S	P 1 21 1	5.0144; 11.1979; 18.4427 90; 91.258; 90	1035.32	Ohta, Shinji; Oshimo, Shiori; Ohta, Emi; Nehira, Tatsuo; Ômura, Hisashi; Uy, Mylene M.; Ishihara, Yasuhiro Asaroidoxazines from the Roots of Asarum asaroides Induce Apoptosis in Human Neuroblastoma Cells Journal of Natural Products, 2020
1559131	CIF	C15 H22 O3	P 1	8.6358; 9.3834; 9.8633 74.596; 86.938; 68.597	716.6	Zhang, Jing-Fang; Zhong, Wan-Chao; Li, Yan-Cheng; Song, Yun-Qing; Xia, Gui-Yang; Tian, Gui-Hua; Ge, Guang-Bo; Lin, Sheng Bioactivity-Guided Discovery of Human Carboxylesterase Inhibitors from the Roots of Paeonia lactiflora Journal of Natural Products, 2020
1559132	CIF	C93 H110 F12 N4 O28 Rh4 S8	C 1 2/c 1	71.953; 17.886; 37.342 90; 96.315; 90	47766	Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes Chemical Science, 2020
1559133	CIF	C103 H107.5 F12 N12.5 O21.5 Rh4 S7	C 1 2/c 1	67.429; 23.8798; 29.2782 90; 103.301; 90	45879	Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes Chemical Science, 2020
1559134	CIF	C208 H264 F24 N26 O68 Rh8 S10	P -1	22.383; 24.161; 24.592 92.104; 98.905; 102.575	12790	Lu, Ye; Liu, Dong; Lin, Yue-Jian; Jin, Guo-Xin A Hierarchical Assembly Strategy for Near-Infrared Photothermal Conversion: Unconventional Heterogeneous Metalla[2]catenanes Chemical Science, 2020
1559135	CIF	C15 H30 O4	P 1 21 1	8.38; 5.067; 19.58 90; 94.25; 90	829	Saha, Sanu; Paul, Debobrata; Goswami, Rajib Kumar Cyclodepsipeptide Alveolaride C: Total Synthesis and Structural Assignment Chemical Science, 2020
1559136	CIF	C39 H49 Cu F6 N6 O0.5 P	P 1 21/n 1	11.46796; 19.4563; 17.9268 90; 106.331; 90	3838.51	Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020
1559137	CIF	C44 H58 Cl2 Cu F6 N6 P	P 21 21 21	12.1264; 18.4915; 19.9843 90; 90; 90	4481.2	Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020
1559138	CIF	C70.18 H76.7 B Cu N6 O	P b c a	19.42866; 20.15442; 30.18361 90; 90; 90	11819.1	Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020
1559139	CIF	C45 H50 Cu F3 N6 O2	P c a 21	19.77529; 13.53091; 15.04125 90; 90; 90	4024.7	Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020
1559140	CIF	C44 H50 Cu F3 N6 O3 S	P c a 21	20.1211; 13.39232; 15.13962 90; 90; 90	4079.65	Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R. Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films Chemical Science, 2020
1559141	CIF	C24 H23 F9 N3 O9 P S3	P -1	9.5784; 11.1999; 15.6039 102.532; 90.622; 97.933	1616.98	Bridges, Colin R.; Borys, Andryj M.; Béland, Vanessa A.; Gaffen, Joshua R.; Baumgartner, Thomas Phosphoryl- and phosphonium-bridged viologens as stable two- and three-electron acceptors for organic electrodes Chemical Science, 2020
1559142	CIF	C74 H140 Co Mo6 N7 O24	P 1 21/c 1	18.077; 20.9593; 25.0897 90; 106.497; 90	9114.7	Zhao, Yu; Wang, Zhifang; Gao, Jia; Zhao, Zhengfeng; Li, Xia; Wang, Ting; Cheng, Peng; Ma, Shengqian; Chen, Yao; Zhang, Zhenjie COF-inspired fabrication of two-dimensional polyoxometalate based open frameworks for biomimetic catalysis. Nanoscale, 2020, 12, 21218-21224
1559143	CIF	C4 H6.3 Mn0.1 Mo0.6 N0.4 O2.4	P 1 21/c 1	15.4385; 24.0709; 25.3004 90; 100.116; 90	9255.9	Zhao, Yu; Wang, Zhifang; Gao, Jia; Zhao, Zhengfeng; Li, Xia; Wang, Ting; Cheng, Peng; Ma, Shengqian; Chen, Yao; Zhang, Zhenjie COF-inspired fabrication of two-dimensional polyoxometalate based open frameworks for biomimetic catalysis. Nanoscale, 2020, 12, 21218-21224
1559144	CIF	C118 H59 Cu N4	P -1	15.2358; 15.8461; 16.7025 76.721; 72.502; 68.615	3548.2	Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L. Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals. Nanoscale, 2020, 12, 20356-20363
1559145	CIF	C472 H236 N16 Ni4	P -1	17.1062; 25.99; 35.865 107.089; 90.3877; 108.007	14411	Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L. Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals. Nanoscale, 2020, 12, 20356-20363
1559146	CIF	C77 H8	P 1 21/c 1	32.398; 21.103; 32.293 90; 90.006; 90	22079	Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L. Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals. Nanoscale, 2020, 12, 20356-20363
1559147	CIF	C118 H59 N4 Ni	P -1	35.187; 35.564; 35.852 102.301; 92.802; 101.834	42702	Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L. Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals. Nanoscale, 2020, 12, 20356-20363
1559148	CIF	C24 H10 Cu2 N4 O10	R -3 m :H	18.3055; 18.3055; 52.0549 90; 90; 120	15106.2	Wen, Hui-Min; Shao, Kai; Zhou, Wei; Li, Bin; Chen, Banglin A novel expanded metal-organic framework for balancing volumetric and gravimetric methane storage working capacities. Chemical communications (Cambridge, England), 2020, 56, 13117-13120
1559149	CIF	C24 H25 N3 O3 Pd S	P -1	8.296; 11.0174; 12.5614 111.695; 91.745; 93.375	1063.3	Wang, Xin; Li, Zi-Qi; Mai, Binh Khanh; Gurak, John A.; Xu, Jessica E.; Tran, Van T.; Ni, Hui-Qi; Liu, Zhen; Liu, Zhonglin; Yang, Kin; Xiang, Rong; Liu, Peng; Engle, Keary M. Controlling Cyclization Pathways in Palladium(II)-Catalyzed Intramolecular Alkene Hydrofunctionalization via Substrate Directivity Chemical Science, 2020
1559150	CIF	C12 H10 Fe N10 Pd	P n m a	14.2723; 7.3843; 15.9189 90; 90; 90	1677.7	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559151	CIF	C12 H10 Fe N10 Pd	P n m a	14.1549; 7.1808; 15.6363 90; 90; 90	1589.33	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559152	CIF	C12 H11.6 Fe N10 O0.8 Pt	C 1 2/m 1	21.078; 7.0587; 14.488 90; 131.352; 90	1618.1	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559153	CIF	C12 H12 Fe N10 O Pd	C 1 2/m 1	21.092; 7.0553; 14.535 90; 131.372; 90	1623.2	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559154	CIF	C12 H12 Fe N10 O Pd	C 1 2/m 1	21.77; 7.3679; 14.951 90; 131.902; 90	1784.9	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559155	CIF	C12 H11.6 Fe N10 O0.8 Pt	C 1 2/m 1	21.836; 7.3747; 14.8914 90; 131.952; 90	1783.4	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559156	CIF	C12.5 H12 Fe N10 O0.5 Pt	P b c m	14.8631; 32.144; 7.1639 90; 90; 90	3422.6	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559157	CIF	C12 H10 Fe N10 Pt	P n m a	14.5857; 7.365; 15.9543 90; 90; 90	1713.87	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559158	CIF	C12 H12 Fe N10 O Pd	C 1 2/m 1	21.454; 7.1986; 14.7221 90; 131.494; 90	1703	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559159	CIF	C12.5 H12 Fe N10 O0.5 Pd	P b c m	14.9105; 32.0213; 7.161 90; 90; 90	3419	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559160	CIF	C12.8 H10 Fe N10 O0.4 Pt	I 1 2/m 1	14.8483; 7.1717; 15.88 90; 92.699; 90	1689.1	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559161	CIF	C12 H10 Fe N10 Pt	P n m a	14.1282; 7.1968; 15.746 90; 90; 90	1601.02	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559162	CIF	C12.8 H10 Fe N10 O0.4 Pt	I 1 2/m 1	14.9798; 7.3662; 16.181 90; 91.922; 90	1784.5	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559163	CIF	C12.5 H11.75 Fe N10 O0.5 Pt	P b c m	14.9943; 32.6263; 7.3615 90; 90; 90	3601.3	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559164	CIF	C12 H11.6 Fe N10 O0.8 Pt	C 1 2/m 1	21.488; 7.1993; 14.6712 90; 131.584; 90	1697.6	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559165	CIF	C12.5 H12 Fe N10 O0.5 Pd	P b c m	15.0184; 32.5156; 7.3514 90; 90; 90	3589.9	Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates Chemical Science, 2020
1559169	CIF	C26 H28 N2 O2 Si	P n a 21	7.5919; 32.0914; 21.403 90; 90; 90	5214.5	Numasawa, Koji; Hanaoka, Kenjiro; Ikeno, Takayuki; Echizen, Honami; Ishikawa, Tomoe; Morimoto, Masakazu; Komatsu, Toru; Ueno, Tasuku; Ikegaya, Yuji; Nagano, Tetsuo; Urano, Yasuteru A cytosolically localized far-red to near-infrared rhodamine-based fluorescent probe for calcium ions. The Analyst, 2020, 145, 7736-7740
1559170	CIF	C17 H20 Cl5 N O2 Pd S	P 1 21 1	8.6514; 16.4017; 8.7158 90; 115.259; 90	1118.5	Wang, Yu-Jie; Yuan, Chen-Hui; Chu, De-Zhao; Jiao, Lei Regiocontrol in the oxidative Heck reaction of indole by ligand-enabled switch of the regioselectivity-determining step Chemical Science, 2020
1559171	CIF	C36 H37 Cl5 N P Pd	P -1	10.4499; 11.5254; 15.955 92.906; 104.074; 111.149	1717.91	Wang, Yu-Jie; Yuan, Chen-Hui; Chu, De-Zhao; Jiao, Lei Regiocontrol in the oxidative Heck reaction of indole by ligand-enabled switch of the regioselectivity-determining step Chemical Science, 2020
1559172	CIF	C31 H38 N5 O4	P -1	10.834; 11.01; 13.357 71.977; 84.217; 64.762	1369.6	Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L. Persistent, highly localized, and tunable [4]helicene radicals Chemical Science, 2020
1559173	CIF	C30.95 H39.55 N4 O2.33	P b c a	20.1829; 10.7314; 25.5707 90; 90; 90	5538.4	Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L. Persistent, highly localized, and tunable [4]helicene radicals Chemical Science, 2020
1559174	CIF	C31 H39 B F4 N5 O4	C 1 2/c 1	22.423; 11.1591; 26.6457 90; 113.726; 90	6103.8	Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L. Persistent, highly localized, and tunable [4]helicene radicals Chemical Science, 2020
1559175	CIF	C32 H41 B Cl2 F4 N4 O2	P -1	11.511; 12.4254; 13.1831 85.106; 78.778; 64.945	1675.47	Shaikh, Aslam C.; Moutet, Jules; Veleta, José M.; Hossain, Md Mubarak; Bloch, Jan; Astashkin, Andrei V.; Gianetti, Thomas L. Persistent, highly localized, and tunable [4]helicene radicals Chemical Science, 2020
1559176	CIF	C68 H55 B2 F8 N11 Rh2	P 1 21/n 1	14.2611; 37.3119; 14.5988 90; 115.426; 90	7015.7	Huang, Jie; Gallucci, Judith C.; Turro, Claudia Panchromatic dirhodium photocatalysts for dihydrogen generation with red light Chemical Science, 2020, 11, 9775-9783
1559177	CIF	C32 H31 B Cl3 F3 N2 O3 S	C 1 2/c 1	14.5487; 15.4322; 28.751 90; 101.544; 90	6324.6	Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1517-1521
1559178	CIF	C31 H30 B F3 N2 O3 S	P -1	9.9951; 10.6777; 14.0199 68.127; 85.063; 88.677	1383.34	Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1517-1521
1559179	CIF	C28 H27 B Cl3 F3 N2 O3 S3	P -1	9.76723; 10.8636; 29.3189 86.89; 86.035; 85.589	3090.56	Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1517-1521
1559180	CIF	C29 H28 B Cl6 F3 N2 O5 S	P n a 21	30.1054; 10.64028; 10.64427 90; 90; 90	3409.68	Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1517-1521
1559181	CIF	C35 H30 B F3 N2 O3 S	P -1	11.0952; 11.5436; 14.1018 112.209; 108.743; 94.906	1538.71	Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1517-1521
1559186	CIF	C17 H12 F N O	P 1 21/c 1	6.7867; 14.848; 13.118 90; 101.182; 90	1296.8	Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets The Analyst, 2020
1559187	CIF	C21 H22.5 N2 O	P -1	11.151; 12.493; 15.327 104.622; 101.56; 114.181	1769.6	Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets The Analyst, 2020
1559188	CIF	C19 H17 N O3	P n a 21	32.861; 8.4446; 11.602 90; 90; 90	3219.5	Zhang, Sijing; Yang, Zhenghui; LI, Minghao; Zhang, Qiong; Tian, Xiaohe; Li, Dandan; Li, Shengli; Wu, Jieying; Tian, Yupeng A multi-photon fluorescent probe based on quinoline groups for highly selective and sensitive detection of lipid droplets The Analyst, 2020
1559189	CIF	C17 H20 N4 O3 Pd	P 43 21 2	15.89; 15.89; 14.121 90; 90; 90	3565	Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis Chemical Science, 2020
1559190	CIF	C21 H19 Cl N4	P -1	8.907; 10.254; 11.143 68.74; 87.11; 66.43	864	Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis Chemical Science, 2020
1559191	CIF	C60 H60 Cl4 N16 Pd4	I 41/a :2	20.0376; 20.0376; 23.8666 90; 90; 90	9582.6	Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis Chemical Science, 2020
1559192	CIF	C23 H24 N4 O	P -1	9.4235; 9.4517; 11.8728 81.662; 82.012; 79.093	1020.62	Gogula, Thirupathi; Zhang, Jinquan; Reddy, Madhava; Zhang, Shuaizhong; Zou, Hongbin Temperature-modulated selective C(sp3)−H or C(sp2)−H arylation through palladium catalysis Chemical Science, 2020
1559193	CIF	C25 H41 Ir N O2 P	P 1 21/n 1	9.6922; 38.687; 13.5664 90; 104.749; 90	4919.3	Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden Decarbonylative Ether Dissection by Iridium Pincer Complexes Chemical Science, 2020
1559194	CIF	C37 H66 Cl4 Ir2 N2 O4 P2	P -1	11.7045; 14.2405; 14.5938 72.905; 75.656; 88.106	2250.44	Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden Decarbonylative Ether Dissection by Iridium Pincer Complexes Chemical Science, 2020
1559195	CIF	C20 H36 Cl Ir N O4 P	P 1 21/c 1	13.6475; 8.789; 19.5773 90; 99.5079; 90	2316	Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden Decarbonylative Ether Dissection by Iridium Pincer Complexes Chemical Science, 2020
1559196	CIF	C32 H52 Cl Ir N O7 P	P b c a	21.5143; 11.8302; 26.8208 90; 90; 90	6826.4	Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden Decarbonylative Ether Dissection by Iridium Pincer Complexes Chemical Science, 2020
1559197	CIF	C39 H27 Cl3 N2 O8	C 1 c 1	20.5364; 25.2316; 7.01 90; 115.214; 90	3286.3	Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng <i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089. Journal of natural products, 2020
1559198	CIF	C20 H14 O5	P c c n	22.7722; 21.0367; 6.7533 90; 90; 90	3235.2	Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng <i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089. Journal of natural products, 2020
1559199	CIF	C40 H36 O14 S2	P 21 21 21	7.0562; 20.5785; 24.1665 90; 90; 90	3509.12	Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng <i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089. Journal of natural products, 2020
1559200	CIF	C19 H13 N O5	C 1 2/c 1	10.75529; 11.25315; 23.4783 90; 96.5224; 90	2823.21	Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng <i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089. Journal of natural products, 2020
1559201	CIF	C18 H14 O5	P -1	5.0126; 9.6467; 14.7488 80.099; 84.102; 82.308	693.91	Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng <i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089. Journal of natural products, 2020
1559202	CIF	C20 H16 O7	P 1 21/c 1	9.4014; 9.5711; 19.3229 90; 102.198; 90	1699.45	Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng <i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089. Journal of natural products, 2020
1559203	CIF	C19 H12 O6	P 1 21/c 1	17.1407; 5.8301; 16.0134 90; 113.648; 90	1465.87	Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng <i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089. Journal of natural products, 2020
1559204	CIF	C14 H11 N O6	P 1 21 1	6.3952; 9.0538; 10.7157 90; 100.069; 90	610.89	Li, Sui Jun; Jiao, Fang Wen; Li, Wei; Zhang, Xuan; Yan, Wei; Jiao, Rui Hua Cytotoxic Xanthone Derivatives from the Mangrove-Derived Endophytic Fungus Peniophora incarnata Z4 Journal of Natural Products, 2020
1559205	CIF	C16 H16 O8	P 21 21 21	6.8769; 11.506; 18.7242 90; 90; 90	1481.56	Li, Sui Jun; Jiao, Fang Wen; Li, Wei; Zhang, Xuan; Yan, Wei; Jiao, Rui Hua Cytotoxic Xanthone Derivatives from the Mangrove-Derived Endophytic Fungus Peniophora incarnata Z4 Journal of Natural Products, 2020
1559206	CIF	C9 H9 F3 O	P 21 21 21	4.7121; 9.8742; 17.9278 90; 90; 90	834.15	Ponra, Sudipta; Yang, Jianping; Wu, Haibo; Rabten, Wangchuk; Andersson, Pher G. Asymmetric synthesis of 1,2-fluorohydrin: iridium catalyzed hydrogenation of fluorinated allylic alcohol Chemical Science, 2020