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Searching space group like 'P b c a'

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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1547445	CIF	C11 H12 N4 O2 S	P b c a	9.12; 11.6339; 22.8697 90; 90; 90	2426.5	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547446	CIF	C11 H12 N4 O2 S	P b c a	9.1237; 11.6442; 22.8738 90; 90; 90	2430.07	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547447	CIF	C11 H12 N4 O2 S	P b c a	9.128; 11.6579; 22.8759 90; 90; 90	2434.3	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547448	CIF	C11 H12 N4 O2 S	P b c a	9.1311; 11.6667; 22.88 90; 90; 90	2437.4	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547449	CIF	C11 H12 N4 O2 S	P b c a	9.1357; 11.6782; 22.8834 90; 90; 90	2441.4	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547450	CIF	C11 H12 N4 O2 S	P b c a	9.1405; 11.6923; 22.8838 90; 90; 90	2445.67	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547451	CIF	C11 H12 N4 O2 S	P b c a	9.1415; 11.7002; 22.8837 90; 90; 90	2447.58	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547452	CIF	C11 H12 N4 O2 S	P b c a	9.1445; 11.713; 22.8862 90; 90; 90	2451.33	Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748
1547462	CIF	C29 H22 N2 O2	P b c a	19.4045; 7.14236; 30.4827 90; 90; 90	4224.72	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017
1547478	CIF	C9 H18 Fe2 N5 O3 S2	P b c a	14.24; 14.263; 14.821 90; 90; 90	3010	Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y. Redox active iron nitrosyl units in proton reduction electrocatalysis Nature Communications, 2014, 5, 3684
1547511	CIF	C23 H41 F3 N3 O3 S	P b c a	17.684; 17.465; 33.978 90; 90; 90	10494	Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608
1547516	CIF	C44 H76 Dy Fe2 N4 Si4	P b c a	20.025; 19.663; 24.499 90; 90; 90	9647	Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes Chem. Sci., 2017
1547517	CIF	C44 H76 Er Fe2 N4 Si4	P b c a	19.7942; 19.8223; 24.603 90; 90; 90	9653.4	Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes Chem. Sci., 2017
1547524	CIF	C22.78 H30.48 Ag4 N1.7 Na6.96 Ni2 O35.69 S8	P b c a	25.054; 17.452; 26.296 90; 90; 90	11498	Biltek, Scott R.; Reber, Arthur C.; Khanna, Shiv N.; Sen, Ayusman Complete Ag4M2(DMSA)4 (M = Ni, Pd, Pt, DMSA = Dimercaptosuccinic Acid) Cluster Series: Optical Properties, Stability, and Structural Characterization. The journal of physical chemistry. A, 2017, 121, 5324-5331
1547526	CIF	C35 H31 F12 N3 O P2	P b c a	13.703; 22.2261; 23.066 90; 90; 90	7025.1	Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications. The journal of physical chemistry. A, 2017, 121, 5842-5855
1547678	CIF	C16 H15 N O3	P b c a	11.8722; 8.4475; 26.7964 90; 90; 90	2687.42	Chen, Rongxiang; Zhao, Yanwei; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Wan, Xiaobing Coupling Reaction of Cu-Based Carbene and Nitroso Radical: A Tandem Reaction To Construct Isoxazolines. Organic letters, 2017, 19, 5896-5899
1547688	CIF	C25 H16 F6 O13 P4 Zr2.69	P b c a	23.9163; 13.5859; 26.106 90; 90; 90	8482.5	Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications, 2017, 8, 15369
1547766	CIF	C24 H20 Cl0 N2 O5 S	P b c a	11.3088; 13.4942; 27.4368 90; 90; 90	4186.9	Pal, Kuntal; Shukla, Rahul K.; Volla, Chandra M. R. Rh(II)-Catalyzed Denitrogenative Reaction of N-Sulfonyl-1,2,3-triazoles with Isatins for the Construction of Indigoids. Organic letters, 2017, 19, 5764-5767
1547801	CIF	C11 H11 I O2 Se	P b c a	12.931; 10.477; 18.151 90; 90; 90	2459.1	Maity, Pintu; Paroi, Bidisha; Ranu, Brindaban C. Transition-Metal-Free Iodine Catalyzed Selenocayanation of Styrenyl Bromides and an Easy Access to Benzoselenophenes via Intermediacy of Styrenyl Selenocyanate. Organic letters, 2017, 19, 5748-5751
1547867	CIF	B2 Ca Fe0.369 Mg0.631 O5	P b c a	36.2342; 11.182; 5.5197 90; 90; 90	2236.42	Hayashi, A.; Momma, K.; Miyawaki, R.; Tanabe, M.; Kishi, S.; Kobayashi, S.; Kusachi, I. Kurchatovite from the Fuka mine, Okayama Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2017, 112, 159-165
1547907	CIF	C22 H16 Cl F3	P b c a	10.6429; 17.14; 19.551 90; 90; 90	3566.5	Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach. Organic letters, 2017, 19, 6212-6215
1547948	CIF	C60 H78.56 As2 Fe N12 O19.28	P b c a	21.088; 21.0711; 29.6134 90; 90; 90	13158.6	Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky Indefinitely stable iron(IV) cage complexes formed in water by air oxidation Nature Communications, 2017, 8, 14099
1548053	CIF	C26 H17 N	P b c a	8.2997; 33.2041; 12.4646 90; 90; 90	3435	Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change. Chemical science, 2018, 9, 475-482
1548086	CIF	C66 H150 K2 N10 Si6 U2	P b c a	13.8074; 23.2204; 26.3621 90; 90; 90	8452	David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes Nature Communications, 2016, 7, 13773
1548087	CIF	C66 H150 N10 Rb2 Si6 U2	P b c a	13.7527; 23.1023; 26.7606 90; 90; 90	8502.4	David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes Nature Communications, 2016, 7, 13773
1548250	CIF	C50.75 H48.5 Cl0.75 N	P b c a	13.17; 34.623; 36.534 90; 90; 90	16659	Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215
1548448	CIF	C25 H40 O5 Si	P b c a	11.5577; 16.8408; 24.6521 90; 90; 90	4798.3	Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin Total synthesis of atropurpuran Nature Communications, 2016, 7, 12183
1548531	CIF	C19 H46 Cl4 Eu N8 O Zn	P b c a	16.9858; 18.4496; 18.8816 90; 90; 90	5917.1	Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J. First use of a divalent lanthanide for visible-light-promoted photoredox catalysis. Chemical science, 2018, 9, 1273-1278
1548600	CIF	C42 H62 B2 N4 Se	P b c a	17.8352; 16.7797; 28.365 90; 90; 90	8488.8	Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260
1548601	CIF	C54 H86 B2 N4 O3 S4	P b c a	16.39; 17.61; 38.28 90; 90; 90	11049	Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260
1548634	CIF	C19 H27 N O S	P b c a	13.4779; 8.1983; 31.894 90; 90; 90	3524.2	Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization. Chemical science, 2018, 9, 1846-1853
1548655	CIF	C89 H139 N4 Ni2 O4	P b c a	29.9305; 12.1234; 47.9429 90; 90; 90	17396.5	Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption. Chemical science, 2018, 9, 1610-1620
1548677	CIF HKL Paper	C5 H3 Cl N2 O3	P b c a	5.9238; 9.735; 22.444 90; 90; 90	1294.3	Shafer, Sarah K.; Lynch, Will E.; Padgett, Clifford W. 2-Chloro-4-nitropyridine <i>N</i>-oxide IUCrData, 2018, 3, x180016
1548685	CIF HKL Paper	C10 H11 F3 N2 O	P b c a	9.8152; 10.0783; 22.512 90; 90; 90	2226.9	El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M. 1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea IUCrData, 2018, 3, x180040
1548790	CIF HKL Paper	C13 H9 N O4	P b c a	11.517; 8.7431; 22.2595 90; 90; 90	2241.4	El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate IUCrData, 2017, 2, x171820
1548791	CIF HKL Paper	C19 H14 Br F N2 O	P b c a	13.4521; 7.181; 34.204 90; 90; 90	3304.1	Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil (<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol IUCrData, 2017, 2, x171708
1548827	CIF	C27 H33 Cl3 Cr N7 O2	P b c a	18.2412; 14.5616; 23.1101 90; 90; 90	6138.53	Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P. From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands Catalysis Science & Technology, 2018, 8, 1314
1548847	CIF	C26 H22 F9 Li3 N12 O5	P b c a	19.704; 13.9512; 26.6779 90; 90; 90	7333.61	Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018
1548870	CIF	C33 H59 B Cl N5 O	P b c a	15.6878; 12.3457; 36.8495 90; 90; 90	7136.9	Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600
1548900	CIF	C16 H24 Co F6 N4 O6 S2	P b c a	9.312; 16.956; 29.498 90; 90; 90	4657.6	Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619
1548997	CIF	C25 H22 F3 N O3 S	P b c a	16.8152; 15.0512; 17.5637 90; 90; 90	4445.18	Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281
1549032	CIF	C16 H16 N4 O	P b c a	7.6447; 13.1287; 29.1836 90; 90; 90	2929.01	Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A, 2018, 122, 2956-2973
1549112	CIF	C18 H30 F4 I2 Ni P2	P b c a	14.0519; 14.4485; 24.3473 90; 90; 90	4943.2	Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781
1549138	CIF	C48 H52 O P2	P b c a	16.9466; 20.6986; 23.0289 90; 90; 90	8077.9	Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination. Chemical science, 2018, 9, 4235-4243
1549185	CIF	C7 H15 I3 N2 Pb	P b c a	18.6221; 8.0211; 20.4046 90; 90; 90	3047.83	Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission. Chemical communications (Cambridge, England), 2018, 54, 4321-4324
1549197	CIF	C57 H74 N2 O8 Zn	P b c a	13.9091; 26.4208; 28.6342 90; 90; 90	10522.8	Ullmann, Steve; Schnorr, René; Laube, Christian; Abel, Bernd; Kersting, Berthold Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands. Dalton transactions (Cambridge, England : 2003), 2018, 47, 5801-5811
1549228	CIF	C34 H50 B N2 O5 P	P b c a	19.707; 17.611; 20.439 90; 90; 90	7094	Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T. Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes. Chemical science, 2018, 9, 4338-4347
1549253	CIF	C26 H49 F3 Ir N2 O2 P2	P b c a	14.6519; 15.5746; 27.2406 90; 90; 90	6216.2	Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state. Chemical science, 2018, 9, 4325-4332
1549277	CIF	C38 H37 B Cl4 F15 P	P b c a	20.8497; 16.0333; 23.8954 90; 90; 90	7988	Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard Solid state frustrated Lewis pair chemistry. Chemical science, 2018, 9, 4859-4865
1549287	CIF	C93 H100 B2 Co F27 N8 O4 S	P b c a	21.493; 22.3378; 38.715 90; 90; 90	18587	Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499
1549314	CIF	C58 H46 B F24 Na O9	P b c a	19.142; 24.665; 26.029 90; 90; 90	12289	Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793
1549348	CIF HKL Paper	C13 H15 N5 O2 S	P b c a	18.2763; 7.5909; 20.0571 90; 90; 90	2782.59	Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan 2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide IUCrData, 2018, 3, x180600
1549378	CIF	C20 H28 Cl2 N2 Pd	P b c a	13.5058; 13.9638; 21.6147 90; 90; 90	4076.4	Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088
1549431	CIF	C14 H19 B11 Br6 Si	P b c a	18.5845; 14.7047; 19.673 90; 90; 90	5376.23	Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion. Chemical science, 2018, 9, 5600-5607
1549553	CIF	C4 H13 Cu O8 P	P b c a	10.0717; 9.612; 21.809 90; 90; 90	2111.3	Köferstein, Roberto; Arnold, Michael; Robl, Christian Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid' Zeitschrift für anorganische und allgemeine Chemie, 2018, 644, 205
1549554	CIF	C3 H9 Cu O7 P	P b c a	8.1247; 9.19; 21.023 90; 90; 90	1569.7	Köferstein, Roberto; Arnold, Michael; Robl, Christian Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid' Zeitschrift für anorganische und allgemeine Chemie, 2018, 644, 205
1549606	CIF HKL Paper	C28 H30 Mo N2 O4 P2	P b c a	15.634; 17.716; 21.661 90; 90; 90	5999	Höhne, Martha; Gongoll, Marc; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0) with an unknown solvent IUCrData, 2018, 3, x180846
1549631	CIF	C47 H81 B Fe N3 P3 Si2	P b c a	11.3085; 24.2407; 37.5101 90; 90; 90	10282.5	Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270
1549700	CIF	C252 H300 N20	P b c a	30.1086; 31.9945; 46.8128 90; 90; 90	45095.2	Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018
1549704	CIF	C14 H26 N O4 Sb	P b c a	8.0941; 43.971; 8.3622 90; 90; 90	2976.2	Moaven, Shiva; Yu, Jingze; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F. Self-assembled reversed bilayers directed by pnictogen bonding to form vesicles in solution. Chemical communications (Cambridge, England), 2018, 54, 8849-8852
1549714	CIF HKL Paper	C22 H15 N O2 S	P b c a	9.265; 10.3523; 36.0698 90; 90; 90	3459.6	Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen 3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one IUCrData, 2018, 3, x181019
1549775	CIF	C25 H15 N S2	P b c a	18.7793; 7.4521; 50.3987 90; 90; 90	7053.06	Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds. Chemical science, 2018, 9, 7556-7561
1549795	CIF HKL Paper	C15 H22 I N	P b c a	15.631; 11.614; 16.976 90; 90; 90	3082	da Costa Duarte, Rodrigo; Kommers Reimann, Louise; Severo Rodembusch, Fabiano; Gustavo Teixeira Alves Duarte, Luís 1-Butyl-2,3,3-trimethylindol-1-ium iodide IUCrData, 2018, 3, x181130
1549799	CIF	C64 H53 Cl6 Fe3 N11	P b c a	18.9606; 18.7387; 34.1557 90; 90; 90	12135.4	Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858
1549802	CIF	C64 H53 Br6 Fe3 N11	P b c a	19.0269; 18.8487; 35.2474 90; 90; 90	12640.9	Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858
1549858	CIF	C23 H26 Ir N O3	P b c a	16.13031; 14.54437; 17.33703 90; 90; 90	4067.36	Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines Catalysis Science & Technology, 2018, 8, 6316
1549876	CIF	C13 H14 Cl N O3	P b c a	9.1082; 10.2539; 25.5319 90; 90; 90	2384.5	Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard Poly(2-oxazoline)s with pendant cubane groups Polymer Chemistry, 2018, 9, 4840
1550042	CIF	C64 H80 Cl12 N8 Zn2	P b c a	21.712; 13.037; 54.215 90; 90; 90	15346	Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G. Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters. Chemical communications (Cambridge, England), 2018, 54, 12586-12589
1550095	CIF	C22 H14 N2 O	P b c a	8.23403; 10.88902; 34.457 90; 90; 90	3089.43	Sirbu, Dumitru; Wales, Rebecca; Geary, David R.; Waddell, Paul G.; Benniston, Andrew C. Rosindone revisited: a computational and photophysical study of 7-phenylbenzo[a]phenazine-5(7H)-one (PBP). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 140-147
1550189	CIF	C20 H27 B F4 Fe N2 Ni O S Se	P b c a	16.309; 11.4239; 24.8441 90; 90; 90	4628.8	Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019
1550190	CIF	C20 H27 B0.78 Cl0.22 F3.13 Fe N2 Ni O S2	P b c a	16.2504; 11.3127; 24.8851 90; 90; 90	4574.8	Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019
1550205	CIF	C22 H38 N4 O2	P b c a	8.9115; 16.2345; 32.4328 90; 90; 90	4692.17	Dawn, Arnab; Mirzamani, Marzieh; Jones, Christopher D.; Yufit, Dmitry S.; Qian, Shuo; Steed, Jonathan W.; Kumari, Harshita Investigating the effect of supramolecular gel phase crystallization on gel nucleation. Soft matter, 2018, 14, 9489-9497
1550247	CIF	C10 H16 Hg2 I4 N4 S2	P b c a	10.1454; 15.0815; 15.2995 90; 90; 90	2340.94	Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225
1550378	CIF	C27 H23 N O2	P b c a	37.682; 6.9971; 15.2009 90; 90; 90	4007.9	Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes Chemical Science, 2019
1550441	CIF	C7 H15 I N2 O	P b c a	13.4725; 9.8551; 32.7259 90; 90; 90	4345.11	Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151
1550473	CIF	C46 H68 Al2 N2	P b c a	17.2467; 13.0572; 18.6141 90; 90; 90	4191.8	Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019
1550496	CIF	C19 H16 Au Cl N O P	P b c a	12.7694; 7.3282; 38.4557 90; 90; 90	3598.56	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019
1550538	CIF	C30 H23 F6 Ir N5 P	P b c a	10.9356; 15.8786; 33.0214 90; 90; 90	5733.9	Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation Chemical Science, 2019
1550545	CIF	C60 H70 Mg2 N4	P b c a	15.3389; 14.0741; 23.7894 90; 90; 90	5135.7	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis Chemical Science, 2019
1550563	CIF	C33 H59 Cu3.12 Li0.88 N3	P b c a	11.3883; 18.8747; 31.9081 90; 90; 90	6858.7	Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019
1550565	CIF	C30 H46 Cu2 Li2 N2	P b c a	8.6647; 16.1964; 21.7364 90; 90; 90	3050.42	Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019
1550587	CIF HKL Paper	C27 H17 Cl F N3 O2 S	P b c a	7.9243; 23.7112; 24.927 90; 90; 90	4683.7	El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M. 3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one IUCrData, 2019, 4, x190170
1550633	CIF	C12 H12 O2 S	P b c a	16.151; 7.314; 19.036 90; 90; 90	2249	Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology, 2019
1550676	CIF	C18 H26 F3 N O3 S	P b c a	8.2322; 16.009; 30.617 90; 90; 90	4035	Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019
1550696	CIF	C25 H22 I N3 O S2	P b c a	13.4772; 20.032; 20.904 90; 90; 90	5643.6	Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe Chemical Science, 2019
1550770	CIF	C30 H18 Br2 N2	P b c a	7.0412; 22.373; 29.798 90; 90; 90	4694.2	Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio Origin of the isotropic motion in crystalline molecular rotors with carbazole stators Chemical Science, 2019
1550868	CIF	C18 H11 Br2 N	P b c a	14.9529; 8.173; 24.26 90; 90; 90	2964.8	Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow Chemical Science, 2019
1550895	CIF	C55 H63 Cl N2 O12 Pd	P b c a	22.26; 22.2598; 25.7392 90; 90; 90	12753.9	Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts Polymer Chemistry, 2019, 10, 2596
1550961	CIF	C19 H17 N3 O4	P b c a	10.5086; 12.016; 27.2839 90; 90; 90	3445.2	Cuadros, Sara; Horwitz, Matthew; Schweitzer-Chaput, Bertrand; Melchiorre, Paolo A visible-light mediated three-component radical process using dithiocarbamate anion catalysis Chemical Science, 2019
1550998	CIF	C20 H24 Br2 S2	P b c a	10.1337; 12.5991; 30.3 90; 90; 90	3868.6	Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna β-Strand Inspired Bifacial π-Conjugated Polymers Chemical Science, 2019
1550999	CIF	C16 H20 Br2 S2	P b c a	12.542; 9.1015; 28.8047 90; 90; 90	3288.1	Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna β-Strand Inspired Bifacial π-Conjugated Polymers Chemical Science, 2019
1551020	CIF HKL Paper	C12 H12 O3	P b c a	10.8313; 7.618; 24.1463 90; 90; 90	1992.38	Lough, Alan J.; Hill, Jarvis; Tam, William 1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one IUCrData, 2019, 4, x190609
1551151	CIF	C44 H71 B Mg N4 O2	P b c a	21.3924; 18.277; 22.9162 90; 90; 90	8959.98	Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F. Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process Chemical Science, 2019
1551154	CIF	C46 H68 B Mg N3 O2	P b c a	20.5267; 19.7717; 21.7073 90; 90; 90	8809.86	Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F. Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process Chemical Science, 2019
1551491	CIF	C30 H20	P b c a	9.8337; 11.6263; 35.5613 90; 90; 90	4065.71	Paul J. Evans; Evan R. Darzi; Ramesh Jasti Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene Nature Chemistry, 2014, 6, 404-408
1551494	CIF	C15 H12 N2 O2	P b c a	16.5065; 7.0663; 21.0475 90; 90; 90	2455	Rodriguez, Jessica; Zeineddine, Abdallah; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Saffon, Nathalie; Amgoune, Abderrahmane; Bourissou, Didier Catalytic Au(I)/Au(III) Arylation with the Hemilabile MeDalphos Ligand: Unusual Selectivity for Electron-Rich Iodoarenes and Efficient Application to Indoles Chemical Science, 2019
1551599	CIF	C10 H9 Br N4 O	P b c a	23.6829; 7.5558; 24.1777 90; 90; 90	4326.4	HWANG, Long-Chih; CHUANG, Chung-Lin; SU, Chun-Wei; LEE, Gene-Hsiang Packing of Two Independent Molecules: 3-Amino-2-benzyl-6-bromo-1,2,4-triazin-5(2<i>H</i>)-one X-ray Structure Analysis Online, 2016, 32, 33
1551644	CIF	C10 H13 Cl F N O2	P b c a	24.679; 9.873; 9.253 90; 90; 90	2254.5	Guillon, Jean; Pinaud, Noël; Marchivie, Mathieu; Ronga, Luisa; Benazzouz, Abdelhamid; Moreau, Stéphane Crystal Structure of a Fluoro Analogue of 3,4-(Methylenedioxy)amphetamine X-ray Structure Analysis Online, 2015, 31, 23
1551711	CIF	C18 H18 O4	P b c a	36.993; 10.1567; 8.3441 90; 90; 90	3135.1	RANGANATHA, V. Lakshmi; VINUTHA, N.; KHANUM, Shaukath A.; ANTHAL, Sumati; REVANNASIDDAIAH, D.; Rajnikant,; GUPTA, Vivek K. Crystal Structure of (4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester X-ray Structure Analysis Online, 2012, 28, 27
1551755	CIF	C9 H8 Cl3 N O	P b c a	5.564; 14.832; 26.399 90; 90; 90	2178.6	YANG, Hai-Yu; LI, Yu-Feng; LIU, Shan; FENG, Mei-Li; ZHU, Hong-Jun Crystal Structure of 3-Chloro-4-(3,3-dichloroallyloxy)benzenamine X-ray Structure Analysis Online, 2010, 26, 51
1551811	CIF	C21 H19 N O5	P b c a	20.375; 41.499; 8.139 90; 90; 90	6882	KAMIGAUCHI, Miyoko; NODA, Yuko; IWASA, Kinuko; IN, Yasuko; ISHIDA, Toshimasa Addendum: Crystal Structure of (dl)-Corynoloxine [X-ray Structure Analysis Online, Vol. 25, p. 1 (2009)] X-ray Structure Analysis Online, 2009, 25, 45
1551812	CIF	C20 H20 O5	P b c a	13.435; 23.358; 10.139 90; 90; 90	3181.8	KAMIGAUCHI, Miyoko; IN, Yasuko; ISHIDA, Toshimasa X-ray Structure Analysis of (dl)-DeN-Corynoline, Derived from Hexahydorobenzo[c]phenanthridine Type Alkaloid Corynoline X-ray Structure Analysis Online, 2009, 25, 27
1551864	CIF	C19 H30 Cl N5 O6 S2	P b c a	11.8873; 19.315; 21.733 90; 90; 90	4990	Bolla, Geetha; Nangia, Ashwini Supramolecular synthon hierarchy in sulfonamide cocrystals with <i>syn</i>-amides and <i>N</i>-oxides IUCrJ, 2019, 6
1551902	CIF	C36 H32 Cl4 N2 O8 Pd2	P b c a	16.3668; 17.4864; 26.005 90; 90; 90	7442.5	David C. Powers; Tobias Ritter Bimetallic Pd(III) complexes in palladium-catalysed carbon-heteroatom bond formation Nature Chemistry, 2009, 1, 302-309
1551911	CIF	C28 H33 F3 Ir N O	P b c a	15.215; 11.5219; 29.439 90; 90; 90	5160.8	Kwangmin Shin; Yoonsu Park; Mu-Hyun Baik; Sukbok Chang Iridium-catalysed arylation of C-H bonds enabled by oxidatively induced reductive elimination Nature Chemistry, 2018, 10, 218-224
1551920	CIF	C23 H35 Be Cl2 N	P b c a	20.214; 9.634; 23.524 90; 90; 90	4581	Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster Neutral zero-valent s-block complexes with strong multiple bonding Nature Chemistry, 2016, 8, 890-894
1551941	CIF	C30 H22 Ag2 Fe N6	P b c a	12.2648; 14.7116; 16.75 90; 90; 90	3022.3	Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks Chemical Science, 2019
1551945	CIF	C30 H22 Ag2 Fe N6	P b c a	12.3342; 14.4997; 15.8603 90; 90; 90	2836.5	Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks Chemical Science, 2019
1551946	CIF	C30 H22 Ag2 Fe N6	P b c a	12.3352; 14.622; 16.1726 90; 90; 90	2917	Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks Chemical Science, 2019
1551949	CIF	C30 H22 Ag2 Fe N6	P b c a	12.367; 14.371; 16.929 90; 90; 90	3008.7	Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks Chemical Science, 2019
1551951	CIF	C30 H22 Ag2 Fe N6	P b c a	12.2405; 13.9694; 16.0892 90; 90; 90	2751.1	Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks Chemical Science, 2019
1551952	CIF	C30 H22 Ag2 Fe N6	P b c a	12.2235; 14.0648; 16.3631 90; 90; 90	2813.2	Wang, Long-Fei; Zhuang, Wei-Man; Guo-Zhang, Huang; Chen, Yan-Cong; Qiu, Jiang-Zhen; Ni, Zhao-Ping; Tong, Ming-Liang Spin-Crossover Modulation via Single-Crystal to Single-Crystal Photochemical [2+2] Reaction in Hofmann-Type Frameworks Chemical Science, 2019
1551993	CIF	C33 H25 Au Cl3 P	P b c a	9.8724; 20.8516; 27.507 90; 90; 90	5662.5	Manuel Alcarazo; Christian W. Lehmann; Anakuthil Anoop; Walter Thiel; Alois Furstner Coordination chemistry at carbon Nature Chemistry, 2009, 1, 295-301
1552119	CIF HKL Paper	C12 H8 N4 O2	P b c a	14.265; 8.06; 17.564 90; 90; 90	2019.4	Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G. 5-Amino-6-nitro-1,10-phenanthroline IUCrData, 2019, 4, x191016
1552293	CIF	C15 H13 N O2	P b c a	10.5366; 7.4255; 31.091 90; 90; 90	2432.5	Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds IUCrJ, 2019, 6
1552346	CIF	C20 H44 Cl3 N P2 W	P b c a	13.1751; 14.2709; 28.3358 90; 90; 90	5327.7	Schluschaß, Bastian; Abbenseth, Josh; Demeshko, Serhiy; Finger, Markus; Franke, Alicja; Herwig, Christian; Würtele, Christian; Ivanović-Burmazović, Ivana; Limberg, Christian; Telser, Joshua; Schneider, Sven Selectivity of Tungsten Mediated Dinitrogen Splitting vs. Proton Reduction Chemical Science, 2019
1552351	CIF	C69 H70 B2 N6 Ni	P b c a	35.8282; 18.7973; 17.4964 90; 90; 90	11783.4	Sethuraman, Muthuramalingam; Anandababu, Karunanithi; Velusamy, Marappan; Ramasamy, Mayilmurugan One Step Phenol Synthesis from Benzene Catalysed by Nickel(II) Complexes Catalysis Science & Technology, 2019
1552365	CIF	C52 H36 N4 O8 Pd	P b c a	33.5643; 21.7048; 6.9605 90; 90; 90	5070.8	Li, Shuai; Mei, Hong-Min; Yao, Shi-Lin; Chen, Zhiyao; Lu, Yu-Lin; Zhang, Li; Su, Cheng-Yong Well-Distributed Pt-Nanoparticles within Confined Coordination Interspaces of Self-Sensitized Porphyrin Metal-Organic Frameworks: Synergistic Effect Boosting Highly Efficient Photocatalytic Hydrogen Evolution Reaction Chemical Science, 2019
1552391	CIF	C26 H31 N O4	P b c a	16.1147; 12.70487; 22.6264 90; 90; 90	4632.42	Muriel, Bastian; Gagnebin, Alec; Waser, Jerome Synthesis of Bicyclo[3.1.0]hexanes by (3+2) Annulation of Cyclopropenes with Aminocyclopropanes Chemical Science, 2019
1552396	CIF	C14 H12 O2 S	P b c a	10.3332; 14.5631; 15.1782 90; 90; 90	2284.1	Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes Photochemical & Photobiological Sciences, 2019
1552401	CIF Paper	C18 H26 N2 O2	P b c a	5.5482; 12.167; 24.556 90; 90; 90	1657.7	Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine IUCrJ, 2019, 6
1552420	CIF	C37 H39 F6 Ir O P2	P b c a	10.9699; 16.9662; 36.5183 90; 90; 90	6796.7	Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua One-pot syntheses of irida-polycyclic aromatic hydrocarbons Chemical Science, 2019
1552422	CIF	C65 H61 B Ir O P	P b c a	11.1444; 24.2099; 39.1676 90; 90; 90	10567.6	Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua One-pot syntheses of irida-polycyclic aromatic hydrocarbons Chemical Science, 2019
1552441	CIF	C22 H13 N9	P b c a	21.083; 7.043; 23.465 90; 90; 90	3484.3	Kim, Jaejun; Ohtsu, Hiroyoshi; Den, Taizen; Deekamwong, Krittanun; Muneta, Iriya; Kawano, Masaki Control of anisotropy of redox-active molecule-based film leads to non-volatile resistive switching memory Chemical Science, 2019
1552514	CIF	C25 H52 Mn N P4 Si	P b c a	17.3395; 18.5712; 19.5632 90; 90; 90	6299.7	Price, Jeffrey S.; Emslie, David J. H. Interconversion and reactivity of manganese silyl, silylene, and silene complexes Chemical Science, 2019
1552559	CIF	C19 H12 Br N O4	P b c a	7.513; 13.49; 32.45 90; 90; 90	3289	Kundu, Tania; Bhattacharjee, Bharati; Hazra, Subhenjit; Ghosh, Arnab K.; Bandyopadhyay, Debasish; Pramanik, Animesh Synthesis and Biological Assessment of Pyrrolobenzoxazine Scaffold as a Potent Antioxidant. Journal of medicinal chemistry, 2019, 62, 6315-6329
1552809	CIF	C77 H58 N16 O3 Si4	P b c a	17.2401; 19.3123; 41.135 90; 90; 90	13695.7	Sturtz, Benjamin W.; Moore, Curtis E.; Jenkins, Tyler S.; Miller, Jennifer L.; Momberger, Carlisle D.; Rheingold, Arnold L.; Kenney, Malcolm E. Structural Data Showing the Existence of LDI Bonds between the Rings of Dimeric Cofacial Siloxysilicon Phthalocyanines. The journal of physical chemistry. A, 2019, 123, 471-481
1552840	CIF	C9 H6 O2 S2	P b c a	9.738; 7.241; 24.578 90; 90; 90	1733.1	Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells Macromolecules, 2018, 52, 341
1552865	CIF HKL Paper	C12 H11 N3 O2 S	P b c a	15.0751; 7.6891; 20.7891 90; 90; 90	2409.75	Omar Ali, Nur Halilatul Sadiqin; Sheikh Abdul Hamid, Malai Haniti; Mirza, Aminul Huq; Usman, Anwar 2-[1-(1,3-Dioxo-1,3-dihydro-2<i>H</i>-inden-2-ylidene)ethyl]hydrazinecarbothioamide IUCrData, 2019, 4, x191501
1552877	CIF	C41 H52 Au Cl2 N3	P b c a	10.4512; 18.0543; 38.7653 90; 90; 90	7314.59	Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446
1552880	CIF	C40 H49 Au Cl2 N2 O	P b c a	10.0502; 17.6546; 39.3833 90; 90; 90	6987.9	Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED. Chemical science, 2020, 11, 435-446
1553000	CIF	C30 H44 Cl6 O6 Ti2	P b c a	13.085; 12.063; 23.777 90; 90; 90	3753	Zhang, Lili; Yu, Xiaying; Zhang, Lixin; Zhou, Xigeng; Lin, Yanghui A simple and practical catalytic electron transfer system composed of TiCl4 and metallic Yb: application in carbonyl olefination and insight into the mechanism Org. Chem. Front., 2014, 1, 929
1553012	CIF	C14 H10 N2	P b c a	11.876; 7.462; 24.973 90; 90; 90	2213.1	You, Xu; Xie, Xin; Sun, Renhong; Chen, Haoyi; Li, Shi; Liu, Yuanhong Titanium-mediated cross-coupling reactions of 1,3-butadiynes with α-iminonitriles to 3-aminopyrroles: observation of an imino aza-Nazarov cyclization Org. Chem. Front., 2014, 1, 940
1553050	CIF	C32 H53 B11 N2	P b c a	17.5053; 20.281; 21.1684 90; 90; 90	7515.3	Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55
1553051	CIF	C32 H55 B11 N2	P b c a	17.474; 20.161; 21.123 90; 90; 90	7441.5	Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55
1553054	CIF	C33 H55 B11 N2	P b c a	17.5189; 20.3686; 21.3348 90; 90; 90	7613	Zheng, Fangrui; Xie, Zuowei Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes Organic Chemistry Frontiers, 2015, 2, 55
1553064	CIF	C72 H114 Br4 Cl2 N4 O9	P b c a	23.3371; 23.5232; 27.0473 90; 90; 90	14848	Beyeh, N. Kodiah; Valkonen, Arto; Bhowmik, Sandip; Pan, Fangfang; Rissanen, K. N-Alkyl ammonium resorcinarene salts: multivalent halogen-bonded deep-cavity cavitands Organic Chemistry Frontiers, 2015, 2, 340
1553153	CIF	C19 H21 N O2	P b c a	12.4972; 14.1613; 17.5538 90; 90; 90	3106.61	Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S. γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines Organic Chemistry Frontiers, 2015, 2, 1445
1553164	CIF	C22 H24 Cl N O4	P b c a	12.5003; 9.5999; 34.846 90; 90; 90	4181.6	Li, Ming; Qiu, Bin; Kong, Xiang-Jing; Wen, Li-Rong Synthesis of Passerini adducts from aldehydes and isocyanides under the auxiliary of water Organic Chemistry Frontiers, 2015, 2, 1326
1553166	CIF	C10 H8 N4 O	P b c a	7.008; 13.515; 19.467 90; 90; 90	1843.8	Li, Pan; Zhao, Jingjing; Xia, Chungu; Li, Fuwei The development of carbene-stabilized N‒O radical coupling strategy in metal-free regioselective C‒H azidation of quinoline N-oxides Organic Chemistry Frontiers, 2015, 2, 1313
1553222	CIF	C14 H13 F O	P b c a	34.01; 9.158; 7.196 90; 90; 90	2241	Cai, Shujun; Xiao, Zheming; Ou, Jinjie; Shi, Yingbo; Gao, Shuanhu A photo-induced C‒C bond formation methodology to construct tetrahydrofluorenones and their related structures Organic Chemistry Frontiers, 2016, 3, 354
1553263	CIF	C18.75 H26 Cl Ir N5 O0.75	P b c a	11.78544; 14.43434; 23.04719 90; 90; 90	3920.67	Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J. Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity. Journal of medicinal chemistry, 2018, 61, 7330-7344
1553326	CIF	C9 H9 N O3	P b c a	8.7826; 13.1341; 16.1714 90; 90; 90	1865.4	Chang, Fang-Rong; Li, Pei-Shian; Huang Liu, Rosa; Hu, Hao-Chun; Hwang, Tsong-Long; Lee, Jin-Ching; Chen, Shu-Li; Wu, Yang-Chang; Cheng, Yuan-Bin Bioactive Phenolic Components from the Twigs of Atalantia buxifolia. Journal of natural products, 2018, 81, 1534-1539
1553379	CIF	C29 H35 N O3	P b c a	12.9258; 18.5966; 20.6239 90; 90; 90	4957.49	Ma, Xiao-Li; Li, Jun; Zheng, Jiao; Gu, Xiao-Pan; Ferreira, Daneel; Zjawiony, Jordan K.; Zhao, Ming-Bo; Guo, Xiao-Yu; Tu, Peng-Fei; Jiang, Yong LC-MS-Guided Isolation of Insulin-Secretion-Promoting Monoterpenoid Carbazole Alkaloids from Murraya microphylla. Journal of natural products, 2018, 81, 2371-2380
1553460	CIF	C27 H26 Cl2 F3 N7 S	P b c a	16.558; 17.307; 19.571 90; 90; 90	5608	Wang, Fei; Zhao, Liang; You, Jingsong; Wang, Mei-Xiang Synthesis of trifluoromethylthiolated azacalix[1]arene[3]pyridines from the Cu(ii)-mediated direct trifluoromethylthiolation reaction of arenes via reactive arylcopper(iii) intermediates Organic Chemistry Frontiers, 2016, 3, 880
1553528	CIF	C22 H32 O2 Si	P b c a	12.7034; 11.6077; 28.683 90; 90; 90	4229.5	Liu, Zhen; Xia, Ying; Feng, Sheng; Zhang, Yan; Wang, Jianbo Rh(i)-Catalyzed coupling of 2-bromoethyl aryldiazoacetates with tertiary propargyl alcohols through carbene migratory insertion Organic Chemistry Frontiers, 2016, 3, 1691
1553532	CIF	C18 H16 O S	P b c a	11.1348; 10.8734; 24.741 90; 90; 90	2995.5	An, Zhenyu; She, Yue; Yang, Xiaodong; Pang, Xiaobo; Yan, Rulong Metal-free synthesis of 3-methylthiofurans from homopropargylic alcohols and DMSO via a tandem sulfenylation/cyclization reaction in a one-pot manner Organic Chemistry Frontiers, 2016, 3, 1746
1553534	CIF	C24 H19 N	P b c a	11.335; 7.4991; 37.869 90; 90; 90	3219	Mahmood, Qaiser; Yue, Erlin; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua Bisimino-functionalized dibenzo[a,c]acridines as highly conjugated pincer frameworks for palladium(ii): synthesis, characterization and catalytic performance in Heck coupling Organic Chemistry Frontiers, 2016, 3, 1668
1553541	CIF	C18 H22 O4	P b c a	7.6825; 17.5861; 22.9639 90; 90; 90	3102.5	Michelet, Bastien; Tang, Shun; Thiery, Guillaume; Monot, Julien; Li, Huijing; Guillot, Régis; Bour, Christophe; Gandon, Vincent Catalytic applications of [IPr·GaX2][SbF6] and related species Organic Chemistry Frontiers, 2016, 3, 1603
1553583	CIF	C18 H15 Br2 F3	P b c a	16.4974; 6.84171; 28.6498 90; 90; 90	3233.72	Kazakova, Anna N.; Iakovenko, Roman O.; Boyarskaya, Irina A.; Ivanov, Alexander Yu.; Avdontceva, Margarita S.; Zolotarev, Andrei A.; Panikorovsky, Taras L.; Starova, Galina L.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V. Brominated CF3-allyl alcohols as multicentered electrophiles in TfOH promoted reactions with arenes Organic Chemistry Frontiers, 2017, 4, 255
1553606	CIF	C22 H15 N O2	P b c a	8.874; 13.733; 27.215 90; 90; 90	3317	Fang, Xinxin; Gao, Shang; Wu, Zijun; Yao, Hequan; Lin, Aijun Pd(ii)-Catalyzed oxidative dearomatization of indoles: substrate-controlled synthesis of indolines and indolones Organic Chemistry Frontiers, 2017, 4, 292
1553622	CIF	C23 H30 N4 O2 Si	P b c a	15.6516; 14.7041; 20.8303 90; 90; 90	4793.9	Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S. Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry Organic Chemistry Frontiers, 2017, 4, 978
1553625	CIF	C21 H34 N4 O2 Si	P b c a	8.9462; 11.9145; 43.549 90; 90; 90	4641.9	Morozova, Maria A.; Yusubov, Mekhman S.; Kratochvil, Bohumil; Eigner, Václav; Bondarev, Alexander A.; Yoshimura, Akira; Saito, Akio; Zhdankin, Viktor V.; Trusova, Marina E.; Postnikov, Pavel S. Regioselective Zn(OAc)2-catalyzed azide‒alkyne cycloaddition in water: the green click-chemistry Organic Chemistry Frontiers, 2017, 4, 978
1553739	CIF	C15 H9 F N2	P b c a	25.513; 13.881; 6.794 90; 90; 90	2406	Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L. Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions Org. Chem. Front., 2017, 4, 1574
1553740	CIF	C16 H13 N2	P b c a	25.555; 14.1257; 6.8724 90; 90; 90	2480.8	Panaka, Sangeetha; Trivedi, Rajiv; Sony, T.; Prabhakar, S.; Raju Chowhan, L. Silver(i) catalyzed intramolecular cyclization of N-(2-(alk-1-yn-1-yl))-1H-tetrazoles leading to the formation of N-cyano-2-substituted indoles under ambient conditions Org. Chem. Front., 2017, 4, 1574
1553783	CIF	C22 H18 Br4 N2	P b c a	10.7971; 15.2395; 26.1285 90; 90; 90	4299.2	Huang, Zhe; Zhan, Ming; Zhang, Shaoguang; Luo, Qian; Zhang, Wen-Xiong; Xi, Zhenfeng Synthesis of dibromo- and tetrabromo-bipyrrolines and their corresponding 2,6-diazasemibullvalene derivatives Organic Chemistry Frontiers, 2017, 4, 1785
1553897	CIF	C23 H20 Cl F3 N2 O3	P b c a	18.1727; 10.5743; 23.813 90; 90; 90	4576	Sun, Yao-Liang; Wei, Yin; Shi, Min Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles Organic Chemistry Frontiers, 2018, 5, 210
1553939	CIF	C22 H22 Si	P b c a	8.8464; 13.6195; 30.1026 90; 90; 90	3626.9	Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)‒Si bond cleavage Organic Chemistry Frontiers, 2018, 5, 860
1553990	CIF	C48 H40 Br6 Mo3 P2 S7	P b c a	17.9676; 25.7114; 27.222 90; 90; 90	12575.8	Dave, M.; Rajagopal, A.; Damm-Ruttensperger, M.; Schwarz, B.; Nägele, F.; Daccache, L.; Fantauzzi, D.; Jacob, T.; Streb, C. Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts Sustainable Energy & Fuels, 2018, 2, 1020
1553991	CIF	C32 H72 Cl6 Mo3 N2 S7	P b c a	18.3547; 18.62; 29.2421 90; 90; 90	9993.9	Dave, M.; Rajagopal, A.; Damm-Ruttensperger, M.; Schwarz, B.; Nägele, F.; Daccache, L.; Fantauzzi, D.; Jacob, T.; Streb, C. Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts Sustainable Energy & Fuels, 2018, 2, 1020
1554012	CIF	C16 H16 Br N	P b c a	16.082; 7.689; 22.68 90; 90; 90	2804.5	Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797
1554013	CIF	C16 H16 Cl N	P b c a	15.898; 7.6343; 22.722 90; 90; 90	2757.8	Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797
1554016	CIF	C18 H20 Br N	P b c a	16.3828; 8.1068; 24.499 90; 90; 90	3253.8	Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797
1554023	CIF	C16 H16 I N	P b c a	16.4326; 7.7795; 22.582 90; 90; 90	2886.8	Sun, Xingxing; Zhang, Baicheng; Li, Xinyang; Trindle, Carl O.; Zhang, Guoqing External Heavy-Atom Effect via Orbital Interactions Revealed by Single-Crystal X-ray Diffraction. The journal of physical chemistry. A, 2016, 120, 5791-5797
1554123	CIF	C41.7 H38.28 Cl0.12 N2 O2 S	P b c a	12.8953; 16.0322; 32.3384 90; 90; 90	6685.6	Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P. Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters The Journal of Physical Chemistry C, 2018, 122, 28564
1554124	CIF	C44 H38 Cl2 N2 O2 S	P b c a	16.8912; 11.396; 37.1194 90; 90; 90	7145.2	Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P. Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters The Journal of Physical Chemistry C, 2018, 122, 28564
1554125	CIF	C44 H38 Cl2 N2 O2 S	P b c a	16.9973; 11.406; 37.216 90; 90; 90	7215.1	Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P. Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters The Journal of Physical Chemistry C, 2018, 122, 28564
1554158	CIF	C24 H39 Si3 Sm	P b c a	8.2756; 22.251; 28.8955 90; 90; 90	5320.8	Soller, Benedikt S.; Sun, Qian; Salzinger, Stephan; Jandl, Christian; Pöthig, Alexander; Rieger, Bernhard Ligand Induced Steric Crowding in Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates: Does Enthalpy Matter? Macromolecules, 2016, 49, 1582
1554172	CIF	C34 H28 Cl2 Hf	P b c a	11.582; 17.782; 25.537 90; 90; 90	5259	Machat, Martin R.; Lanzinger, Dominik; Drees, Markus; Altmann, Philipp J.; Herdtweck, Eberhardt; Rieger, Bernhard High-Melting, Elastic Polypropylene: A One-Pot, One-Catalyst Strategy toward Propylene-Based Thermoplastic Elastomers Macromolecules, 2018, 51, 914
1554180	CIF	C22 H26 Cl5 N2 O3 Ti	P b c a	15.9365; 14.9569; 21.2219 90; 90; 90	5058.47	Coward, Daniel L.; Lake, Benjamin R. M.; Poli, Rinaldo; Shaver, Michael P. Radically Initiated Group Transfer Polymerization of Methacrylates by Titanium Amino-Phenolate Complexes Macromolecules, 2019, 52, 3252
1554260	CIF	C11 H13 N O2	P b c a	5.565; 17.417; 19.97 90; 90; 90	1935.6	Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M. Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans Organic Chemistry Frontiers, 2018, 5, 1655
1554308	CIF	C28 H26 F N O8 S	P b c a	8.2423; 18.2962; 34.5544 90; 90; 90	5210.9	Xing, Siyang; Cui, Hong; Qin, Jiajing; Gu, Nan; Zhang, Bowei; Wang, Kui; Wang, Ying; Xia, Li; Wang, Yumeng Diastereoselective synthesis of cis-1,3-disubstituted isoindolines via a highly site-selective tandem cyclization reaction Organic Chemistry Frontiers, 2018, 5, 1950
1554363	CIF	C28 H28 Cl F3 N2 Pd	P b c a	18.6245; 13.7023; 22.6048 90; 90; 90	5768.7	Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides Organic Chemistry Frontiers, 2018, 5, 2484
1554364	CIF	C48 H39 Cl N2 Pd	P b c a	18.9753; 19.6328; 20.1865 90; 90; 90	7520.2	Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides Organic Chemistry Frontiers, 2018, 5, 2484
1554394	CIF	C17 H13 F2 N O2	P b c a	8.3324; 18.0049; 18.9382 90; 90; 90	2841.2	Ma, Xingxing; Deng, Shuilin; Song, Qiuling Halodifluoroacetates as formylation reagents for various amines via unprecedented quadruple cleavage Organic Chemistry Frontiers, 2018, 5, 3505
1554408	CIF	C14 H10 Br N O4	P b c a	7.5983; 16.424; 20.8458 90; 90; 90	2601.44	Maezono, Shizuka Mei Bautista; Kim, Sung Hong; Lee, Yong Rok Copper-catalyzed [3 + 2 + 1] annulation for functionalized pyridines as potent and dynamic UV absorbers Organic Chemistry Frontiers, 2018, 5, 3368
1554479	CIF	C9 H10 F6 N2 O5 S2	P b c a	17.2641; 14.8304; 23.9088 90; 90; 90	6121.5	Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles Organic Chemistry Frontiers, 2018, 5, 3163
1554489	CIF	C10 H8 F N3	P b c a	7.4865; 11.7277; 20.913 90; 90; 90	1836.1	Zhao, Mingzhu; Cai, Juewang; Zhao, Xiaoming Silver-promoted selective fluorination of 2-aminopyrimidines: synthesis of 5-fluoro-2-aminopyrimidine derivatives Organic Chemistry Frontiers, 2019, 6, 426
1554509	CIF	C74 H86 F12 N2 O6 P4	P b c a	15.5817; 20.6208; 22.0566 90; 90; 90	7086.9	Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan Anion‒π and anion‒π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts Organic Chemistry Frontiers, 2019, 6, 110
1554531	CIF	C5 H4 F N5 O6	P b c a	6.6055; 11.5186; 23.4809 90; 90; 90	1786.57	Palysaeva, Nadezhda V.; Gladyshkin, Aleksei G.; Vatsadze, Irina A.; Suponitsky, Kyrill Yu.; Dmitriev, Dmitry E.; Sheremetev, Aleksei B. N-(2-Fluoro-2,2-dinitroethyl)azoles: a novel assembly of diverse explosophoric building blocks for energetic compound design Organic Chemistry Frontiers, 2019, 6, 249
1554551	CIF	C13 H22 O2	P b c a	11.8513; 8.0917; 24.6768 90; 90; 90	2366.4	He, Min; Yi, Jiuzhou; Zhao, Gaoyuan; Chen, Peiqi; Long, Dan; Hu, Xiaojun; Li, Huilin; Xie, Xingang; Wang, Xiaolei; She, Xuegong A concise approach to the tricyclic framework of longipinane- and ent-longipinane-type sesquiterpenoids Organic Chemistry Frontiers, 2019, 6, 383
1554629	CIF	C6 H6 N8 O8	P b c a	11.0661; 13.9316; 15.839 90; 90; 90	2441.9	Huang, Qi; Guo, Zhicheng; Liao, Longyu; Hao, Shilong; Nie, Fude; Li, Hongzhen Customization of the molecular structure to modulate the crystal packing style of energetic materials Molecular Systems Design & Engineering, 2019, 4, 1032
1554784	CIF	C13 H18 N2 O2 S2	P b c a	14.1538; 10.7714; 20.0319 90; 90; 90	3054	Hoffmann, Kerstin; Guentner, Manuel; Mayer, Peter; Dube, Henry Symmetric and nonsymmetric bis-hemithioindigos ‒ precise visible light controlled shape-shifters Organic Chemistry Frontiers, 2019, 6, 1244
1554931	CIF	C18 H19 N O4 S	P b c a	17.4772; 10.488; 19.6463 90; 90; 90	3601.2	Huang, Guofei; Ren, Xiaoyu; Jiang, Chunhui; Wu, Jia-Hong; Gao, Guowei; Wang, Tianli Efficient synthesis of (E)-2-nitromethylcinnamates via phosphine-catalyzed tandem α-addition and 1,3-rearrangement Organic Chemistry Frontiers, 2019, 6, 2872
1554954	CIF	C27 H24 Fe O2 S	P b c a	28.3482; 19.5347; 7.5873 90; 90; 90	4201.6	Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties Organic Chemistry Frontiers, 2019, 6, 2801
1554972	CIF	C20 H17 N O	P b c a	14.5964; 13.9382; 14.6669 90; 90; 90	2983.94	Hu, Xiaoping; Wang, Gaonan; Qin, Chunxiang; Xie, Xin; Zhang, Chunli; Xu, Wei; Liu, Yuanhong Ligandless nickel-catalyzed transfer hydrogenation of alkenes and alkynes using water as the hydrogen donor Organic Chemistry Frontiers, 2019, 6, 2619
1554984	CIF	C20 H21 B11 Cl6 O	P b c a	19.0146; 13.8372; 21.2518 90; 90; 90	5591.5	Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S. Peraryl-X-onium ions of nitrogen and oxygen Organic Chemistry Frontiers, 2019, 6, 2640
1555061	CIF	C34 H22 Cl2 N4 O4	P b c a	10.6177; 21.038; 26.249 90; 90; 90	5863.4	Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes. Organic letters, 2015, 17, 3494-3497
1555082	CIF	C9.5 H8.5 N0.5 O0.5 S	P b c a	10.1327; 12.0719; 28.967 90; 90; 90	3543.3	Zhou, Yao; Lou, Yixian; Wang, Ya; Song, Qiuling Oxidant-controlled divergent transformations of 3-aminoindazoles for the synthesis of pyrimido[1,2-b]-indazoles and aromatic nitrile-derived dithioacetals Organic Chemistry Frontiers, 2019, 6, 3355
1555107	CIF	C10 H12 O3	P b c a	8.8394; 8.5924; 23.437 90; 90; 90	1780.1	Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks. Organic letters, 2015, 17, 3604-3607
1555118	CIF	C34 H28 Cl2 N2 O3	P b c a	10.1992; 17.1094; 33.448 90; 90; 90	5836.7	Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction Organic Chemistry Frontiers, 2019, 6, 3530
1555158	CIF	C7 H3 Cl2 N2	P b c a	11.4945; 7.5152; 17.4299 90; 90; 90	1505.66	Xiao, Xinsheng; Xie, Ying; Bai, Siyi; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei Transition-Metal-Free Tandem Chlorocyclization of Amines with Carboxylic Acids: Access to Chloroimidazo[1,2-α]pyridines. Organic letters, 2015, 17, 3998-4001
1555165	CIF	C17 H17 Br O5	P b c a	11.48; 10.279; 26.181 90; 90; 90	3089.4	Wang, Zhenjun; Chen, Shuai; Ren, Jun; Wang, Zhongwen Cooperative Photo-/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross-Cycloadditions of Cyclopropane 1,1-Diesters with α,β-Unsaturated Carbonyls for Medium-Sized Carbocycles. Organic letters, 2015, 17, 4184-4187
1555196	CIF	C21 H19 N3 O	P b c a	12.7097; 15.6515; 17.3613 90; 90; 90	3453.6	Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro Copper-Catalyzed Formal [4 + 1] Cycloaddition of Benzamides and Isonitriles via Directed C-H Cleavage. Organic letters, 2015, 17, 4066-4069
1555200	CIF	C21 H16 N2 O2	P b c a	8.899; 16.027; 21.774 90; 90; 90	3106	Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part Organic Chemistry Frontiers, 2019, 6, 3649
1555202	CIF	C21 H16 N2 O2	P b c a	16.535; 8.4288; 22.1228 90; 90; 90	3083.3	Wössner, Jan S.; Grenz, David C.; Kratzert, Daniel; Esser, Birgit Tuning the optical properties of spiro-centered charge-transfer dyes by extending the donor or acceptor part Organic Chemistry Frontiers, 2019, 6, 3649
1555208	CIF	C42 H22 F6	P b c a	9.5341; 17.1742; 34.8068 90; 90; 90	5699.3	Rao, M. Rajeswara; Black, Hayden T.; Perepichka, Dmitrii F. Synthesis and Divergent Electronic Properties of Two Ring-Fused Derivatives of 9,10-Diphenylanthracene. Organic letters, 2015, 17, 4224-4227
1555225	CIF	C40 H32 N2 O9	P b c a	13.9815; 16.6793; 26.5582 90; 90; 90	6193.4	Sai, Chun-Mei; Li, Da-Hong; Xue, Chun-Mei; Wang, Kai-Bo; Hu, Ping; Pei, Yue-Hu; Bai, Jiao; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming Two Pairs of Enantiomeric Alkaloid Dimers from Macleaya cordata. Organic letters, 2015, 17, 4102-4105
1555258	CIF	C9 H5 Cl2 N3 S	P b c a	6.9189; 13.8264; 21.5767 90; 90; 90	2064.1	Kalogirou, Andreas S.; Manoli, Maria; Koutentis, Panayiotis A. Synthesis of N-Aryl-3,5-dichloro-4H-1,2,6-thiadiazin-4-imines from 3,4,4,5-Tetrachloro-4H-1,2,6-thiadiazine. Organic letters, 2015, 17, 4118-4121
1555297	CIF	C20 H35 B N3 O P Ru	P b c a	14.9558; 15.4562; 19.3998 90; 90; 90	4484.45	Luconi, Lapo; Demirci, Umit B.; Peruzzini, Maurizio; Giambastiani, Giuliano; Rossin, Andrea Ammonia borane and hydrazine bis(borane) dehydrogenation mediated by an unsymmetrical (PNN) ruthenium pincer hydride: metal‒ligand cooperation for hydrogen production Sustainable Energy & Fuels, 2019, 3, 2583
1555310	CIF	C19 H14 N2 O	P b c a	14.5086; 13.0756; 15.3147 90; 90; 90	2905.3	Petrone, David A.; Yen, Andy; Zeidan, Nicolas; Lautens, Mark Dearomative Indole Bisfunctionalization via a Diastereoselective Palladium-Catalyzed Arylcyanation. Organic letters, 2015, 17, 4838-4841
1555317	CIF	C22 H17 Au Cl P	P b c a	9.915; 17.298; 22.652 90; 90; 90	3885	Ishidoshiro, Makoto; Matsumura, Yoshimasa; Imoto, Hiroaki; Irie, Yasuyuki; Kato, Takuji; Watase, Seiji; Matsukawa, Kimihiro; Inagi, Shinsuke; Tomita, Ikuyoshi; Naka, Kensuke Practical Synthesis and Properties of 2,5-Diarylarsoles. Organic letters, 2015, 17, 4854-4857
1555389	CIF	C29 H25 Br N2 O3	P b c a	12.7295; 15.5318; 24.571 90; 90; 90	4858	Li, Falin; Chen, Jiangfei; Hou, Yading; Li, Yujie; Wu, Xin-Yan; Tong, Xiaofeng 1,3-Dipolar Cycloadditions of 4-Acetoxy Allenoates: Access to 2,3-Dihydropyrazoles, 2,3-Dihydroisoxazoles, and Indolizines. Organic letters, 2015, 17, 5376-5379
1555447	CIF	C21 H16 O3	P b c a	15.108; 7.54; 27.9119 90; 90; 90	3179.6	Ravi Kumar, Devarapalli; Satyanarayana, Gedu Domino Oxidative [Pd]-Catalysis: One-Pot Synthesis of Fluorenones Starting from Simple Benzylamines and Iodo Arenes. Organic letters, 2015, 17, 5894-5897
1555469	CIF	C22 H14 O3	P b c a	12.5409; 7.8473; 31.588 90; 90; 90	3108.6	Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols. Organic letters, 2015, 17, 5926-5929
1555484	CIF	C16 H24 N3 O3 P	P b c a	28.26; 11.505; 11.128 90; 90; 90	3618	Ahamad, Shakir; Kant, Ruchir; Mohanan, Kishor Metal-Free Three-Component Domino Approach to Phosphonylated Triazolines and Triazoles. Organic letters, 2016, 18, 280-283
1555487	CIF	C20 H21 N O2	P b c a	14.6593; 7.8044; 27.406 90; 90; 90	3135.4	Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles. Organic letters, 2016, 18, 1716-1719
1555490	CIF	C19 H19 N O	P b c a	13.21; 7.8624; 27.4014 90; 90; 90	2846	Nandi, Raj Kumar; Guillot, Régis; Kouklovsky, Cyrille; Vincent, Guillaume Synthesis of 3,3-Spiroindolines via FeCl3-Mediated Cyclization of Aryl- or Alkene-Containing 3-Substituted N-Ac Indoles. Organic letters, 2016, 18, 1716-1719
1555621	CIF	C26 H23 N	P b c a	17.814; 9.6903; 23.0455 90; 90; 90	3978.18	Li, Nan; Lian, Xiao-Lei; Li, Yu-Hui; Wang, Tian-Yi; Han, Zhi-Yong; Zhang, Liming; Gong, Liu-Zhu Gold-Catalyzed Direct Assembly of Aryl-Annulated Carbazoles from 2-Alkynyl Arylazides and Alkynes. Organic letters, 2016, 18, 4178-4181
1555632	CIF	C12 H13 N O3	P b c a	12.5299; 11.0917; 15.3671 90; 90; 90	2135.69	Patzelt, Christoph; Pöthig, Alexander; Gulder, Tanja Iodine(III)-Catalyzed Cascade Reactions Enabling a Direct Access to β-Lactams and α-Hydroxy-β-amino Acids. Organic letters, 2016, 18, 3466-3469
1555637	CIF	C29 H16 O	P b c a	13.816; 13.862; 19.248 90; 90; 90	3686.3	Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit. Organic letters, 2016, 18, 3654-3657
1555691	CIF	C9 H16 B Br2 P S	P b c a	7.1372; 12.6521; 31.0391 90; 90; 90	2802.8	Imamoto, Tsuneo; Horiuchi, Yumi; Tamura, Ken; Sugiya, Masashi; Masu, Hyuma Catalyst-Free and Regioconvergent Substitution Reactions of Bromothiophenes with a BH3-Substituted Phosphide Anion. Organic letters, 2016, 18, 4132-4135
1555714	CIF	C112 H114 N8 O8	P b c a	16.057; 36.163; 40.408 90; 90; 90	23464	Jeon, Hae-Geun; Jang, Han Bit; Kang, Philjae; Choi, Ye Rin; Kim, Junyoung; Lee, Ji Hyun; Choi, Moon-Gun; Jeong, Kyu-Sung Helical Aromatic Foldamers Functioning as a Fluorescence Turn-on Probe for Anions. Organic letters, 2016, 18, 4404-4407
1555726	CIF	C16 H19 N O4	P b c a	12.7082; 10.0795; 24.4296 90; 90; 90	3129.2	Bantreil, Xavier; Bourderioux, Aurélie; Mateo, Pierre; Hagerman, Caroline E.; Selkti, Mohamed; Brachet, Etienne; Belmont, Philippe Phosphine-Triggered Selectivity Switch in Silver-Catalyzed o-Alkynylbenzohydroxamic Acid Cycloisomerizations. Organic letters, 2016, 18, 4814-4817
1555807	CIF	C19 H20 N2 O3	P b c a	10.6778; 15.1304; 20.376 90; 90; 90	3291.9	Zhou, Tao; Wang, Yanwei; Li, Bin; Wang, Baiquan Rh(III)-Catalyzed Carbocyclization of 3-(Indolin-1-yl)-3-oxopropanenitriles with Alkynes and Alkenes through C-H Activation. Organic letters, 2016, 18, 5066-5069
1555822	CIF	C21 H18 O2	P b c a	7.5079; 14.0053; 29.564 90; 90; 90	3108.7	Li, Deng Yuan; Jiang, Liang Liang; Chen, Shuang; Huang, Zheng Lu; Dang, Li; Wu, Xin Yan; Liu, Pei Nian Cascade Reaction of Alkynols and 7-Oxabenzonorbornadienes Involving Transient Hemiketal Group Directed C-H Activation and Synergistic Rh<sup>III</sup>/Sc<sup>III</sup> Catalysis. Organic letters, 2016, 18, 5134-5137
1555848	CIF	C14 H14 O2	P b c a	14.9062; 8.6079; 17.2918 90; 90; 90	2218.7	Peng, Yu; Xiao, Jian; Xu, Xiao-Bo; Duan, Shu-Ming; Ren, Li; Shao, Yong-Liang; Wang, Ya-Wen Stereospecific Synthesis of Tetrahydronaphtho[2,3-b]furans Enabled by a Nickel-Promoted Tandem Reductive Cyclization. Organic letters, 2016, 18, 5170-5173
1555876	CIF	C19 H17 Br O2 S	P b c a	14.8765; 9.6372; 24.3534 90; 90; 90	3491.5	Son, Jeong-Yu; Kim, Jonghye; Han, Sang Hoon; Kim, Sung Hong; Lee, Phil Ho Regioselective Synthesis of Dihydrothiophenes and Thiophenes via the Rhodium-Catalyzed Transannulation of 1,2,3-Thiadiazoles with Alkenes. Organic letters, 2016, 18, 5408-5411
1555893	CIF	C20 H17 Fe N	P b c a	18.249; 7.4323; 22.242 90; 90; 90	3016.7	Zhou, Shuguang; Wang, Mingyang; Wang, Lili; Chen, Kehao; Wang, Jinhu; Song, Chao; Zhu, Jin Bidentate Directing-Enabled, Traceless Heterocycle Synthesis: Cobalt-Catalyzed Access to Isoquinolines. Organic letters, 2016, 18, 5632-5635
1555917	CIF	C19 H26 N2 O	P b c a	8.7863; 19.6959; 19.81 90; 90; 90	3428.2	Peng, Jianwen; Gao, Yang; Hu, Weigao; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng Palladium-Catalyzed Multicomponent Reaction (MCR) of Propargylic Carbonates with Isocyanides. Organic letters, 2016, 18, 5924-5927
1555982	CIF	C22 H22 N2 O2	P b c a	15.792; 12.08; 19.334 90; 90; 90	3688.3	Hu, Ming; Zou, Hua-Xu; Song, Ren-Jie; Xiang, Jian-Nan; Li, Jin-Heng Copper-Catalyzed C-H Oxidative Radical Functionalization and Annulation of Aniline-Linked 1,7-Enynes: Evidence for a 1,5-Hydride Shift Mechanism. Organic letters, 2016, 18, 6460-6463
1556025	CIF	C42 H28 N2 O2	P b c a	18.5446; 17.7946; 18.9442 90; 90; 90	6251.5	Feng, Yadong; Tian, Nian; Li, Yudong; Jia, Chunqi; Li, Xuening; Wang, Lianhui; Cui, Xiuling Construction of Fused Polyheterocycles through Sequential [4 + 2] and [3 + 2] Cycloadditions. Organic letters, 2017, 19, 1658-1661
1556040	CIF	C22 H26 O4 S	P b c a	5.5413; 15.8031; 45.3572 90; 90; 90	3971.92	Zhurakovskyi, Oleksandr; Ellis, Sam R.; Thompson, Amber L.; Robertson, Jeremy Access to a Guanacastepene and Cortistatin-Related Skeleton via Ethynyl Lactone Ireland-Claisen Rearrangement and Transannular (4 + 3)-Cycloaddition of an Azatrimethylenemethane Diyl. Organic letters, 2017, 19, 2174-2177
1556046	CIF	C12 H6 O S2	P b c a	5.541; 15.387; 22.574 90; 90; 90	1925	Mitsudo, Koichi; Kurimoto, Yuji; Mandai, Hiroki; Suga, Seiji Synthesis of 3-Benzo[b]thienyl 3-Thienyl Ether via an Addition-Elimination Reaction and Its Transformation to an Oxygen-Fused Dithiophene Skeleton: Synthesis and Properties of Benzodithienofuran and Its π-Extended Derivatives. Organic letters, 2017, 19, 2821-2824
1556047	CIF	C19 H26 Cl N2 O Rh	P b c a	8.0471; 16.3426; 29.6614 90; 90; 90	3900.8	Long, Zhen; Yang, Yudong; You, Jingsong Rh(III)-Catalyzed [4 + 1]-Annulation of Azoxy Compounds with Alkynes: A Regioselective Approach to 2H-Indazoles. Organic letters, 2017, 19, 2781-2784
1556057	CIF	C14 H10 N2 O2	P b c a	8.0739; 10.2485; 27.568 90; 90; 90	2281.1	Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Kennedy, Alan R.; Tomkinson, Nicholas C. O. Regioselective Three-Component Reaction of Pyridine N-Oxides, Acyl Chlorides, and Cyclic Ethers. Organic letters, 2017, 19, 3512-3515
1556062	CIF	C14 H22 O2	P b c a	9.3826; 13.5881; 18.663 90; 90; 90	2379.38	Takatori, Kazuhiko; Ota, Shoya; Tendo, Kenta; Matsunaga, Kazuma; Nagasawa, Kokoro; Watanabe, Shinya; Kishida, Atsushi; Kogen, Hiroshi; Nagaoka, Hiroto Synthesis of Methylenebicyclo[3.2.1]octanol by a Sm(II)-Induced 1,2-Rearrangement Reaction with Ring Expansion of Methylenebicyclo[4.2.0]octanone. Organic letters, 2017, 19, 3763-3766
1556137	CIF	C22 H13 O3 P	P b c a	7.544; 17.023; 26.006 90; 90; 90	3339.7	Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties. Organic letters, 2013, 15, 330-333
1556155	CIF	C20 H21 Cl N O Rh	P b c a	15.6316; 14.9322; 15.632 90; 90; 90	3648.7	Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Li, Yuanchao Rhodium(III)-catalyzed intermolecular direct amidation of aldehyde C-H bonds with N-chloroamines at room temperature. Organic letters, 2013, 15, 2934-2937
1556213	CIF	C13 H8 N2 O2	P b c a	12.6783; 7.099; 23.032 90; 90; 90	2073	Slowinski, Franck; Ben Ayad, Omar; Ziyaret, Ozge; Botuha, Candice; Le Falher, Laetitia; Aouane, Kamel; Thorimbert, Serge Expeditive access to 2-substituted 4H-pyrido[1,3]oxazin-4-ones via an intramolecular O-arylation. Organic letters, 2013, 15, 3494-3497
1556218	CIF	C10 H12 N2 O3	P b c a	7.4941; 15.8862; 16.1019 90; 90; 90	1916.98	de Robillard, Guillaume; Devillers, Charles H.; Kunz, Doris; Cattey, Hélène; Digard, Eric; Andrieu, Jacques Electrosynthesis of imidazolium carboxylates. Organic letters, 2013, 15, 4410-4413
1556255	CIF	C15 H20 O4	P b c a	10.504; 12.325; 21.276 90; 90; 90	2754	Das, Dipendu; Kant, Ruchir; Chakraborty, Tushar Kanti An approach to a bislactone skeleton: a scalable total synthesis of (±)-penifulvin A. Organic letters, 2014, 16, 2618-2621
1556258	CIF	C27 H33 N O5 S	P b c a	15.64; 15.55; 20.474 90; 90; 90	4979.3	Bitar, Abdallah Y.; Frontier, Alison J. Formal synthesis of (+/-)-roseophilin. Organic letters, 2009, 11, 49-52
1556297	CIF	C28 H33 Cl4 Co N3 O2	P b c a	15.492; 17.191; 25.784 90; 90; 90	6867	Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J. The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series Catalysis Science & Technology, 2012, 2, 643
1556300	CIF	C38 H37 Cl4 Fe N3 S2	P b c a	17.148; 20.564; 22.319 90; 90; 90	7870	Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J. The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series Catalysis Science & Technology, 2012, 2, 643
1556303	CIF	C38 H37 Cl4 Mn N3 S2	P b c a	17.056; 20.693; 22.231 90; 90; 90	7846	Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J. The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series Catalysis Science & Technology, 2012, 2, 643
1556304	CIF	C41 H43 Br2 N3 Ni O S2	P b c a	17.54; 20.405; 22.23 90; 90; 90	7956	Smit, Theo M.; Tomov, Atanas K.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J. The effect of imine-carbon substituents in bis(imino)pyridine-based ethylene polymerisation catalysts across the transition series Catalysis Science & Technology, 2012, 2, 643
1556319	CIF	C48 H38 Cl2 N2 O Ti	P b c a	17.529; 18.752; 25.656 90; 90; 90	8433	Huang, Wei; Zhang, Wenjuan; Sun, Wen-Hua; Wang, Lin; Redshaw, Carl Synthesis, characterization, and the ethylene (co-)polymerization behaviour of half-titanocene dichloride 2-aryliminoquinolin-8-olates Catalysis Science & Technology, 2012, 2, 2090
1556331	CIF	C60 H86 Cl4 N2 O6 V2	P b c a	15.4851; 12.3449; 33.0323 90; 90; 90	6314.5	Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L. Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts Catal. Sci. Technol., 2013, 3, 152
1556386	CIF	C21 H27 N	P b c a	9.2391; 17.1518; 22.2035 90; 90; 90	3518.53	Qiu, Youai; Ma, Dengke; Kong, Wangqing; Fu, Chunling; Ma, Shengming Regiocontrolled 1,2-migration in cyclization of 1-(indol-2-yl)-3-alkyn-1-ols: (Ph3P)Au+vs. PtCl4 Org. Chem. Front., 2014, 1, 62
1556404	CIF	C20 H21 N3	P b c a	15.3067; 12.1443; 18.1692 90; 90; 90	3377.5	Kuang, Jinqiang; Chen, Bo; Ma, Shengming Copper-mediated efficient three-component synthesis of 1,2,4-triazoles from amines and nitriles Org. Chem. Front., 2014, 1, 186
1556421	CIF	C39 H47 Al N2	P b c a	16.0206; 24.7785; 16.9022 90; 90; 90	6709.6	Ito, S.; Tanaka, K.; Chujo, Y. Characterization and Photophysical Properties of a Luminescent Aluminum Hydride Complex Supported by a beta-Diketiminate Ligand Inorganics, 2019, 7, 100
1556511	CIF	C90 H104 I4 Mg3 N6	P b c a	20.4142; 22.2202; 39.3523 90; 90; 90	17850.5	Vindus, D.; Niemeyer, M. Hetero- and Homoleptic Magnesium Triazenides Inorganics, 2017, 5, 33
1556583	CIF	C22 H58 Si8	P b c a	17.338; 18.0108; 22.317 90; 90; 90	6969	Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T. Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene Inorganics, 2018, 6, 21
1556591	CIF	C54 H84 Cl2 F18 Ir2 K N6 O2 P3	P b c a	22.6979; 20.6402; 28.5118 90; 90; 90	13357.5	Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L. Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature Inorganics, 2018, 6, 27
1556600	CIF	C122.5 H108.5 Cu2 Fe O7 P6	P b c a	24.582; 20.281; 40.461 90; 90; 90	20172	Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight Catalysis Science & Technology, 2020, 10, 757-767
1556614	CIF	C32 H76 Si11	P b c a	11.3287; 17.976; 46.325 90; 90; 90	9433.8	Akasaka, N.; Ishida, S.; Iwamoto, T. Transformative Si8R8 Siliconoids Inorganics, 2018, 6, 107
1556643	CIF	C34 H48 B2 Br P3	P b c a	10.5062; 17.5469; 36.649 90; 90; 90	6756.3	Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger Hydrophosphination of boron‒boron multiple bonds Chemical Science, 2020, 11, 1335-1341
1556693	CIF	C19 H11 I2 N O4	P b c a	13.52; 14.455; 19.496 90; 90; 90	3810	Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A. Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes Inorganics, 2019, 7, 53
1556702	CIF HKL	C42 H38 F4 N8 Ni O8	P b c a	17.0353; 18.7759; 25.4659 90; 90; 90	8145.3	Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate IUCrData, 2019, 4, x191688
1556868	CIF	C34 H31 B O	P b c a	10.0358; 12.1076; 43.226 90; 90; 90	5252.4	Su, Xiaojun; Baker, J. J.; Martin, Caleb D. Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis. Chemical science, 2020, 11, 126-131
1557062	CIF	C18 H15 N O S	P b c a	13.1964; 13.3812; 16.7048 90; 90; 90	2949.79	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557068	CIF	C16 H11 N O S	P b c a	12.2557; 9.5626; 21.5616 90; 90; 90	2526.94	Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B. From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes Chemical Science, 2020, 11, 1912-1917
1557131	CIF	C6 H5 D N2	P b c a	6.0431; 13.3857; 14.3592 90; 90; 90	1161.53	Yang, Huan; Zhang, Li; Zhou, Fei-Yu; Jiao, Lei An umpolung approach to the hydroboration of pyridines: a novel and efficient synthesis of N-H 1,4-dihydropyridines Chemical Science, 2020, 11, 742-747
1557180	CIF	C20 H26 N4 S2	P b c a	8.459; 10.552; 22.823 90; 90; 90	2037.2	Laitinen, Riitta H.; Csoban, Katalin; Pursiainen, Jouni; Huuskonen, Juhani; Rissanen, Kari Synthesis and Characterization of Some New Bipyridyl-Based Multidentate Ligands and Their CuI Complexes Acta Chemica Scandinavica, 1997, 51, 462-469
1557290	CIF	C2 H Cl N4	P b c a	11.2724; 6.279; 12.5272 90; 90; 90	886.67	Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines Chemical Science, 2020, 11, 3042-3047
1557294	CIF	C2 H Br N4	P b c a	12.7468; 5.60166; 12.9507 90; 90; 90	924.72	Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl 3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines Chemical Science, 2020, 11, 3042-3047
1557302	CIF HKL Paper	C20 H18 N4 O2	P b c a	8.7438; 18.7561; 20.8005 90; 90; 90	3411.27	Powell, Gregory L.; Rix, Brad A. 5-Methyl-4-(5-methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one IUCrData, 2020, 5, x200121
1557310	CIF	C16 H15 Cl Cu N5 O4.5	P b c a	13.813; 40.529; 12.404 90; 90; 90	6944	Kivekas, Raikko; Pajunen, Aarne; Colacio, Enrique; Dominguez-Vera, Jose M.; Moreno, Jose Maria; Romerosa, Antonio Structural Characterization of Closely Related Mononuclear CuII Complexes of 5-Nitrosooxime Pyrimidines. A Combined X-Ray and EPR Study Acta Chemica Scandinavica, 1997, 51, 1051-1057
1557324	CIF	C18 H24 N4 O8	P b c a	9.733; 23.332; 8.963 90; 90; 90	2035.4	Loukiala, Satumari; Ratilainen, Jari; Valkonen, Jussi; Rissanen, Kari Syntheses and Crystal Structures of N,N'-Bis(2-hydroxybenzyl)piperazine, its Nitrate Salt and Copper(II) Acetate Complex. Acta Chemica Scandinavica, 1997, 51, 1162-1168
1557348	CIF	C10 H12 N4 O8	P b c a	6.48; 14.84; 26.79 90; 90; 90	2576	Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Young, Dawson A. W. Photochemical Nitration by Tetranitromethane. Part XXVI. Adduct Formation in the Photochemical Reaction of 1,2,3-Trimethylbenzene: the Formation of 'Double' Adducts Including Nitronic Esters Acta Chemica Scandinavica, 1996, 50, 29-47
1557357	CIF	C40 H39 Cl2 N O P2 Ru S	P b c a	10.2315; 22.51; 31.197 90; 90; 90	7185	Dub, Pavel A.; Batrice, Rami J.; Gordon, John C.; Scott, Brian L.; Minko, Yury; Schmidt, Jurgen G.; Williams, Robert F. Engineering Catalysts for Selective Ester Hydrogenation Organic Process Research & Development, 2020
1557366	CIF	C30 H14 S4	P b c a	8.304; 15.842; 33.4 90; 90; 90	4393.8	Larsen, Jan; Dolbecq, Anne; Bechgaard, Klaus Thiaheterohelicenes. 3. Donor Properties of a Series of Benzene-Capped Thiaheterohelicenes. Structure of a Tetrathianonahelicene and its TCNQ Salt Acta Chemica Scandinavica, 1996, 50, 83-89
1557436	CIF HKL Paper	C30 H46 Br4 Mn N4	P b c a	18.02; 18.742; 19.74 90; 90; 90	6666.8	Giltzau, Niels Ole; Köckerling, Martin Bis(N-adamantyl-N′-ethylimidazolium) tetrabromidomanganate(II) IUCrData, 2020, 5
1557452	CIF	C54 H72 Cl8 Ga2 N3 P	P b c a	24.13916; 18.9021; 26.08922 90; 90; 90	11904	Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S. Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications Chemical Science, 2020, 11, 1975-1984
1557518	CIF HKL Paper	C19 H16 O	P b c a	9.4802; 14.9824; 18.6565 90; 90; 90	2649.9	Lough, Alan J.; Pounder, Austin; Tam, William 12-Ethyl-6a,10a-dihydro-5<i>H</i>-6-oxachrysene IUCrData, 2020, 5, x200286
1557576	CIF	C30 H22 Cl2 O4 Ti	P b c a	16.214; 17.3; 18.967 90; 90; 90	5320.3	Matilainen, Leena; Mutikainen, Ilpo; Leskela, Markku Group 4 Metal Alkoxo Complexes as Catalysts for Olefin Polymerization: Synthesis and Crystal Structure of Bis(dibenzoylmethanate)dichlorotitanium(IV) Acta Chemica Scandinavica, 1996, 50, 755-758
1557662	CIF	C9 H12 B N O3	P b c a	11.5309; 7.674; 21.8978 90; 90; 90	1937.7	Chen, Xue; Liu, Zheng-Fei; Jin, Wei Jun The Effect of Electron Donation and Intermolecular Interactions on Ultralong Phosphorescence Lifetime of 4-Carnoyl Phenylboronic Acids. The journal of physical chemistry. A, 2020
1557764	CIF	C64 H39 B F20 N2	P b c a	18.0482; 18.05071; 34.8012 90; 90; 90	11337.6	Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes Chemical Science, 2020, 11, 7615-7618
1557788	CIF	C10 H14 I N2 O2	P b c a	8.3415; 10.1215; 25.9996 90; 90; 90	2195.11	Yang, Zhimin; Stein, Richard A.; Ngendahimana, Thacien; Pink, Maren; Rajca, Suchada; Jeschke, Gunnar; Eaton, Sandra S.; Eaton, Gareth R.; Mchaourab, Hassane S.; Rajca, Andrzej Supramolecular Approach to Electron Paramagnetic Resonance Distance Measurement of Spin-Labeled Proteins. The journal of physical chemistry. B, 2020
1557871	CIF	C26 H25 Cl2 N O4	P b c a	18.383; 13.3271; 20.1022 90; 90; 90	4924.9	Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds Chemical Science, 2020, 11, 5082-5088
1557877	CIF	C24 H20 Cl N O4	P b c a	15.289; 15.602; 17.96 90; 90; 90	4284.2	Anulewicz, Romana; Bak, Tomasz; Cyranski, Michal; Krygowski, Tadeusz Marek; Pawlak, Dorota; Pniewska, Barbara; Rasala, Danuta; Gawinecki, Ryszard Substituent Effects on the Geometry of the Pyridine Ring in 1-Methyl-4-(4-R-phenyl)-2,6-diphenylpyridinium Perchlorates Acta Chemica Scandinavica, 1995, 49, 515-523
1557898	CIF	C12 H28 B Co F4 N5 O2	P b c a	13.0883; 14.8329; 19.5325 90; 90; 90	3791.99	Das, Sandip; Kulbir,; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj Nitric oxide monooxygenation (NOM) reaction of cobalt-nitrosyl {Co(NO)}8 to CoII-nitrito {CoII(NO2−)}: base induced hydrogen gas (H2) evolution Chemical Science, 2020, 11, 5037-5042
1557907	CIF	C29 H37 N3 O2	P b c a	16.4161; 12.4001; 25.3104 90; 90; 90	5152.2	Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation Chemical Science, 2020, 11, 7672-7675
1557920	CIF	C10 H30 Cl4 N4 O2	P b c a	18.922; 21.706; 8.512 90; 90; 90	3496.1	Springborg, Johan; Kofod, Pauli; Olsen, Carl Erik; Sotofte, Inger Synthesis and Crystal Structure of a Spiro Amine: 3,9,12-Triaza-6-azoniaspiro[5,8]tetradecane Chloride Trihydrochloride Dihydrate Acta Chemica Scandinavica, 1995, 49, 564-570
1558022	CIF	C15 H19 N O6 S	P b c a	13.3705; 7.2739; 31.8622 90; 90; 90	3098.78	Wu, Xiao-Yun; Gui, Hou-Ze; Jangra, Harish; Wei, Yin; Zipse, Hendrik; Shi, Min Phosphine-catalyzed [3 + 2] annulation of 2-aminoacrylates with allenoates and mechanistic studies Catalysis Science & Technology, 2020, 10, 3959-3964
1558040	CIF	C65 H51 Cl3 F8 N2 O4	P b c a	13.843; 23.5705; 33.4177 90; 90; 90	10903.7	Zhao, Xiangxiang; Chen, Zhongtao; Li, Hao; Ma, Yuguo Stereoselectivity Inversion: Isospecific Propylene Polymerization Catalyzed by Rigid Cyclic Bis(phenoxyaldimine) Titanium Complexes Macromolecules, 2020, 53, 3806-3813
1558074	CIF	C15 H18 N3 O6 Re	P b c a	8.90063; 11.9803; 31.8099 90; 90; 90	3391.96	Li, Jing; Lutz, Martin; Klein Gebbink, Robertus J. M. N,N,O-Coordinated tricarbonylrhenium precatalysts for the aerobic deoxydehydration of diols and polyols Catalysis Science & Technology, 2020, 10, 3782-3788
1558099	CIF	C43 H82 Co Li N2 O7 P4	P b c a	17.8715; 22.5218; 24.946 90; 90; 90	10040.7	Piesch, Martin; Seidl, Michael; Scheer, Manfred Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)] Chemical Science, 2020, 11, 6745-6751
1558259	CIF	C34 H26 Co N4 O2	P b c a	15.1904; 15.2935; 23.3304 90; 90; 90	5419.99	Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G. Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides. Chemical science, 2020, 11, 6085-6096
1558281	CIF HKL Paper	C11 H13 Br N2	P b c a	10.907; 18.8993; 21.6608 90; 90; 90	4465	Peppel, Tim; Wulf, Christoph; Spannenberg, Anke 1-Benzyl-3-methylimidazolium bromide IUCrData, 2020, 5
1558295	CIF	C27 H26 Eu F6 N8 O6 P	P b c a	16.7522; 14.5415; 25.718 90; 90; 90	6265	Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2020, 19, 1054-1062
1558327	CIF	C38 H55 Ir N2 P2	P b c a	10.1805; 22.3462; 31.76 90; 90; 90	7225.3	Smith, Joel; Durrant, George; Ess, Daniel H.; Gelfand, Benjamin Sidney; Piers, Warren H/D Exchange Under Mild Conditions in Arenes and Unactivated Alkanes with C6D6 and D2O Using Rigid, Electron-rich Iridium PCP Pincer Complexes Chemical Science, 2020
1558409	CIF	C16 H41 Cl3 Co2 N8 O13 S	P b c a	15.289; 21.392; 17.834 90; 90; 90	5832.8	Kofod, Pauli; Larsen, Erik; Larsen, Sine; Wang, Dong-Ni; Springborg, Johan; Paulsen, Gudrun B. Syntheses in Aqueous Solution and Crystal Structure of a Triamido-Bridged Dicobalt(III) Complex with the Ligands 1,4,7-Triazacyclononane and 3-Thiapentane-1,5-diamine Acta Chemica Scandinavica, 1994, 48, 283-289
1558454	CIF	C72 H36 B F24 N4 Na	P b c a	18.2569; 25.817; 27.739 90; 90; 90	13074	Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate Symmetry of Three-Center, Four-Electron Bonds Chemical Science, 2020
1558490	CIF	C95 H104 B2 Cl2 Co2 F10 O12 P6	P b c a	26.2086; 27.5599; 28.9629 90; 90; 90	20920.1	Papa, Veronica; Cabrero-Antonino, Jose R.; Spannenberg, Anke; Junge, Kathrin; Beller, Matthias Homogeneous cobalt-catalyzed deoxygenative hydrogenation of amides to amines Catalysis Science & Technology, 2020, 10, 6116-6128
1558503	CIF	C9 H14 O4 S4	P b c a	20.351; 14.773; 9.3588 90; 90; 90	2813.7	Larsen, Sine; Teuber, Lene Crystal Structure of Diethyl 1,2,3,4-Tetrathiepane-6,6-dicarboxylate and Structural Aspects of S4-Containing Ring Systems Acta Chemica Scandinavica, 1994, 48, 652-656
1558511	CIF	C19 H25 B F4 Te	P b c a	11.7351; 15.9629; 21.44 90; 90; 90	4016.3	Zhou, Benyu; Gabbaï, François P. Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties Chemical Science, 2020
1558577	CIF	C13 H13 N3 O7	P b c a	15.028; 10.71; 16.779 90; 90; 90	2700.6	Calvert, Jane L.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J. Photochemical Nitration by Tetranitromethane. Part XXI. The Regiochemistry of Nitrito‒Trinitromethyl and Nitro‒Trinitromethyl Addition to 2,6-Dimethylnaphthalene Acta Chemica Scandinavica, 1994, 48, 917-928
1558601	CIF	C32 H36 Cl2 Cr2 N4 O4	P b c a	8.205; 15.631; 24.426 90; 90; 90	3132.7	Bottcher, Arnd; Elias, Horst; Glerup, Jorgen; Neuburger, Markus; Olsen, Carl Erik; Springborg, Johan; Weihe, Hogni; Zehnder, Margareta Synthesis, Structure and Magnetic Properties of Mono- and Dinuclear Chromium(III) Complexes with Tetrahydrosalen and Substituted Tetrahydrosalen Derivatives as Ligands. Crystal Structure of a Phenoxo-Bridged Dichromium(III) Complex Acta Chemica Scandinavica, 1994, 48, 981-988
1558615	CIF	C39 H42 N4 O4	P b c a	15.72214; 19.9433; 20.9335 90; 90; 90	6563.73	Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G. Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers Polymer Chemistry, 2020, 11, 5279-5285
1558619	CIF HKL Paper	C32 H48 N12 O8 Os3 P4	P b c a	18.75; 15.8889; 27.5984 90; 90; 90	8222.03	Marolf, David M.; Brehm, Kristen L.; Lynch, Vincent M.; Powell, Gregory L. 1,1,2,2,2,3,3,3-Octacarbonyl-1,1,2,3-tetrakis(1,3,5-triaza-7-phosphatricyclo[3.3.1.1^3,7^]decane-κ<i>P</i>)-<i>triangulo</i>-triosmium(0) IUCrData, 2020, 5, x200935
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
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
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
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
1558951	CIF	C8 H16 Cl2 O2 Pt S2	P b c a	7.959; 8.972; 18.59 90; 90; 90	1327.5	Bugarcic, Zivadin; Lovqvist, Karin; Oskarsson, Ake Cis‒Trans Influences in Pt Complexes. Crystal Structures of cis-[PtCl2(1,4-thioxane)2] and trans-[PtCl2(1,4-thioxane)2] Acta Chemica Scandinavica, 1993, 47, 554-559
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
1559068	CIF	C20 H34 Cu N4 O6 S2	P b c a	25.282; 11.318; 8.765 90; 90; 90	2508	Sundberg, Markku R.; Sillanpaa, Reijo Syn versus Anti Conformation in Monodentately Coordinated Sulfonate Groups. Crystal Structure Determination and MMX Force-Field Calculations for trans-Di(4-methylbenzenesulfonato)bis(1,3-diaminopropane)copper(II), C20H34CuN4O6S2 Acta Chemica Scandinavica, 1993, 47, 1173-1178
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

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