Crystallography Open Database

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1544960 CIFC72 H79 O9I 1 2/a 130.303; 14.1499; 30.774
90; 115.729; 90
11887.2Wu, Chong; Ikejiri, Yusuke; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko
Synthesis of Mono-O-alkylated Homooxacalix[3]arene and a Protection-Deprotection Strategy for Homooxacalix[3]arene.
Organic letters, 2016
1545478 CIFC23 H33 Cl2 N O3 SI 1 2/a 126.9274; 5.87596; 29.0682
90; 90.0555; 90
4599.29Saint-Dizier, François; Simpkins, Nigel S.
First total synthesis of concavine
Chem. Sci., 2017, 8, 3384
1545776 CIFC64 H82I 1 2/a 116.3409; 9.0662; 35.1804
90; 101.985; 90
5098.4Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra
Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires
The Journal of Physical Chemistry C, 2017, 121, 9202
1545995 CIFC24 H17 N3 O7 SI 1 2/a 113.7214; 9.2266; 34.566
90; 91.593; 90
4374.4Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T.
Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides.
Organic letters, 2017, 19, 2466-2469
1546035 CIFCa O4 WI 1 2/a 15.069; 10.851; 5.081
90; 90.091; 90
279.47Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.
Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure
Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171
1546037 CIFO4 Sr WI 1 2/a 15.263; 11.182; 5.231
90; 90.35; 90
307.84Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.
Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure
Journal of Physics and Chemistry of Solids, 2006, 67, 2164-2171
1546187 CIFC20 H26 F16 I2 N2 O4I 1 2/a 131.169; 5.462; 19.627
90; 102.81; 90
3258.2Zavala, Jose; Greenan, Rebecca; Krantz, Q. Todd; DeMarini, David M.; Higuchi, Mark; Gilmour, M. Ian; White, Paul A.
Regulating temperature and relative humidity in air‒liquid interface in vitro systems eliminates cytotoxicity resulting from control air exposures
Toxicol. Res., 2017
1546254 CIFC42 H34 Cl10 F2 N O P PtI 1 2/a 123.6952; 14.2502; 27.6824
90; 103.199; 90
9100.3Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.
Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre
Chem. Sci., 2017
1546255 CIFC40.4 H33.2 Cl4.2 F2 N P PtI 1 2/a 114.61871; 17.9381; 28.6293
90; 98.6391; 90
7422.34Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.
Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre
Chem. Sci., 2017
1546587 CIF
HKL
Paper
C12 H13 Cl N2 O2I 1 2/a 114.6454; 12.0415; 15.1149
90; 115.621; 90
2403.5El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar
6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione
IUCrData, 2017, 2, x171052
1546674 CIF
HKL
Paper
C22 H17 Cl N2 O2I 1 2/a 129.2234; 8.3076; 31.0407
90; 101.859; 90
7375.1El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar
1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione
IUCrData, 2017, 2, x170901
1546707 CIF
HKL
C23 H21 N2 O0.5I 1 2/a 122.1001; 6.7624; 24.5714
90; 104.835; 90
3549.8Loughzail, Mohamed; Adardour, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam
(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate
IUCrData, 2017, 2, x171070
1547574 CIFC16 H21 BrI 1 2/a 119.772; 6.1368; 23.6786
90; 94.152; 90
2865.5Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin
Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.
Organic letters, 2017, 19, 4766-4769
1547648 CIFC8 H11 B O3I 1 2/a 119.815; 5.02009; 18.2337
90; 111.493; 90
1687.64Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen
Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications
Chem. Sci., 2017
1548088 CIFC66 H150 Cs2 N10 Si6 U2I 1 2/a 122.76348; 17.0958; 22.50605
90; 100.782; 90
8603.83David 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
1548117 CIFC16 H12 Br2 Cd N4 O2I 1 2/a 118.259; 3.867; 24.2737
90; 95.491; 90
1706.04Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara
Building inorganic supramolecular architectures using principles adopted from the organic solid state
IUCrJ, 2018, 5
1548118 CIFC16 H12 Cd I2 N4 O2I 1 2/a 119.7099; 6.8535; 13.631
90; 98.052; 90
1823.15Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara
Building inorganic supramolecular architectures using principles adopted from the organic solid state
IUCrJ, 2018, 5
1548716 CIFC18 H18 OI 1 2/a 118.2502; 5.8703; 25.807
90; 100.988; 90
2714.1Michael W. Giuliano; Chung-Yon Lin; David K. Romney; Scott J. Miller; Eric V. Anslyn
A Synergistic Combinatorial and Chiroptical Study of Peptide Catalysts for Asymmetric Baeyer-Villiger Oxidation
Advanced Synthesis & Catalysis, 2015, 357, 2301-2309
1548758 CIFC46.5 H56 F4 N3 ZnI 1 2/a 115.6052; 24.2499; 23.5838
90; 102.23; 90
8722.1Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.
A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.
Chemical science, 2018, 9, 2348-2356
1548760 CIFC65 H99 Al Mg N4I 1 2/a 121.9257; 15.7003; 37.0659
90; 97.8995; 90
12638.5Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.
A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.
Chemical science, 2018, 9, 2348-2356
1548798 CIF
HKL
C22 H29 Br N4 Se2I 1 2/a 123.767; 5.1425; 39.806
90; 102.61; 90
4747.8Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.
3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)
IUCrData, 2017, 2, x171746
1548889 CIF
HKL
Paper
C6 Cl3 N9I 1 2/a 122.2914; 14.1339; 23.1869
90; 115.732; 90
6580.9Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter
2,6,10-Trichlorotris[1,2,4]triazolo[1,5-<i>a</i>:1',5'-<i>c</i>:1'',5''-<i>e</i>][1,3,5]triazine
IUCrData, 2018, 3, x180212
1549045 CIFC40 H66 Cl2 N10 O16I 1 2/a 115.1489; 13.2904; 24.594
90; 97.293; 90
4911.6Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard
A high throughput screening method for the nano-crystallization of salts of organic cations.
Chemical science, 2018, 9, 3716-3722
1549094 CIFC26 H32 O2 S2I 1 2/a 17.7604; 5.9132; 49.45
90; 95.879; 90
2257.3van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549095 CIFC26 H32 O2 S2I 1 2/a 17.856; 5.8413; 49.561
90; 95.46; 90
2264van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549096 CIFC26 H32 O2 S2I 1 2/a 18.0891; 5.7282; 49.849
90; 94.255; 90
2303.4van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549097 CIFC26 H32 O2 S2I 1 2/a 17.9306; 5.8288; 49.645
90; 95.171; 90
2285.5van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549098 CIFC26 H32 O2 S2I 1 2/a 17.9631; 5.8073; 49.723
90; 94.85; 90
2291.2van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549099 CIFC26 H32 O2 S2I 1 2/a 18.3546; 5.6236; 50.168
90; 93.146; 90
2353.5van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549100 CIFC26 H32 O2 S2I 1 2/a 18.0248; 5.7688; 49.827
90; 94.591; 90
2299.3van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549101 CIFC26 H32 O2 S2I 1 2/a 18.446; 5.58942; 50.2534
90; 92.829; 90
2369.48van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549102 CIFC26 H32 O2 S2I 1 2/a 17.8186; 5.8811; 49.458
90; 95.762; 90
2262.7van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549103 CIFC26 H32 O2 S2I 1 2/a 18.1615; 5.6918; 49.87
90; 93.819; 90
2311.5van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549104 CIFC26 H32 O2 S2I 1 2/a 18.2606; 5.6541; 49.944
90; 93.621; 90
2328van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien
Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.
Chemical science, 2018, 9, 3948-3956
1549397 CIFC24 H36 N2 S SiI 1 2/a 124.712; 8.4842; 24.907
90; 101.616; 90
5115Kulikov, Oleg V.; Siriwardane, Dumindika A.; Budhathoki-Uprety, Januka; McCandless, Gregory T.; Mahmood, Samsuddin F.; Novak, Bruce M.
The secondary structures of PEG-functionalized random copolymers derived from (R)- and (S)- families of alkyne polycarbodiimides
Polymer Chemistry, 2018, 9, 2759
1549884 CIFC65 H63 N11 O13I 1 2/a 135.5103; 9.6091; 37.3391
90; 103.589; 90
12384.3Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.
Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.
Chemical science, 2018, 9, 8150-8159
1549940 CIFC15 H11 F O2I 1 2/a 113.2572; 5.1221; 16.7741
90; 97.5575; 90
1129.15Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.
A quantitative reactivity scale for electrophilic fluorinating reagents.
Chemical science, 2018, 9, 8692-8702
1550059 CIFC38 H62 Mg N4 O2I 1 2/a 117.113; 15.0517; 29.9562
90; 90.872; 90
7715.22McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.
Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide
Polymer Chemistry, 2018, 9, 5339
1550063 CIFC38 H62 N4 O2 ZnI 1 2/a 117.0865; 15.0333; 30.0246
90; 91.193; 90
7710.6McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.
Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide
Polymer Chemistry, 2018, 9, 5339
1550226 CIFC28 H46 Cl2 In K N2 O Si2I 1 2/a 118.8952; 13.1861; 27.8641
90; 100.042; 90
6836.1Anker, Mathew; Lein, Matthias; Coles, Martyn P.
Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds
Chemical Science, 2019
1550227 CIFC31 H49 Cl2 In K N2 O Si2I 1 2/a 118.7078; 13.15883; 30.1739
90; 101.73; 90
7272.86Anker, Mathew; Lein, Matthias; Coles, Martyn P.
Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds
Chemical Science, 2019
1550229 CIFC59 H99 In2 K2 N4 O2 Si4I 1 2/a 123.2852; 17.27697; 36.472
90; 108.506; 90
13913.9Anker, Mathew; Lein, Matthias; Coles, Martyn P.
Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds
Chemical Science, 2019
1550255 CIFC14 H21 B N2 O2I 1 2/a 122.1499; 7.8915; 17.5288
90; 111.175; 90
2857.09Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James
Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.
Chemical Science, 2019
1550934 CIFC32 H48 Cl2 Ir2 N4 O4 Si4I 1 2/a 117.8492; 10.6328; 43.5137
90; 96.227; 90
8209.6Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J
Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2
Catalysis Science & Technology, 2019
1551241 CIFC26 H20 B2 F8 Fe N8I 1 2/a 116.375; 12.327; 17.399
90; 102.25; 90
3432.1Sánchez-Viveros, José Manuel; Bucio-Ortega, Job; Ortiz-Pastrana, Naytzé; Olguín, Juan
Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution
New Journal of Chemistry, 2019, 43, 9776
1551589 CIFC28 H26 Cl N6 O3.5 RuI 1 2/a 115.4085; 13.0737; 27.383
90; 98.0922; 90
5461.27TOYAMA, Mari; NAKAYASU, Toshifumi; NAGAO, Noriharu
Crystal Structure of (2-Picolinato)bis(2,2′-bipyridine)ruthenium(II) Chloride
X-ray Structure Analysis Online, 2017, 33, 11
1552107 CIFC45 H31 Cl N4 ZnI 1 2/a 118.7682; 13.7292; 31.4518
90; 106.951; 90
7752.2Ge, Yuansheng; Cheng, Guoe; Xu, Nanfeng; Wang, Weizhou; Ke, Hanzhong
Zinc 2-N-Methyl N-confused porphyrin: An Efficient Catalyst for the Conversion of CO2 into Cyclic Carbonates
Catalysis Science & Technology, 2019
1552189 CIFC52 H144 N8 Si12 U2I 1 2/a 127.5312; 21.7757; 43.5129
90; 107.785; 90
24839.8Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella
Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands
Chemical Science, 2019
1552250 CIFC30 H24 Cl N O2I 1 2/a 118.3331; 14.0402; 20.1069
90; 107.894; 90
4925.17Li, Chao; Cao, Yi-Xuan; Jin, Ruoxing; Bian, Kang-Jie; Qin, Zi-Yang; Lan, Quan; Wang, Xi-Sheng
Highly Stereoselective Nickel-Catalyzed Difluoroalkylation of Aryl Ketones to Tetrasubstituted Monofluoroalkenes and Quaternary Alkyl Difluorides
Chemical Science, 2019
1552296 CIFC26 H22 N2 O2I 1 2/a 119.7244; 12.392; 35.75
90; 99.796; 90
8610.8Oburn, 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
1552485 CIFC20 H23 N3 O3I 1 2/a 114.0408; 15.4293; 16.5882
90; 93.136; 90
3588.3Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun
Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.
Journal of agricultural and food chemistry, 2019, 67, 11901-11910
1552742 CIFC50 H28I 1 2/a 118.9506; 5.3187; 33.0475
90; 91.961; 90
3328.99Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.
Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.
The journal of physical chemistry. A, 2019, 123, 7558
1552749 CIFC24 H26 Br Co N3 O7 SI 1 2/a 115.5234; 19.2687; 19.1761
90; 112.933; 90
5282.5Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong
Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.
Metallomics : integrated biometal science, 2020, 12, 92-103
1552855 CIFC24 H32 N2 O3 S SiI 1 2/a 114.4384; 16.0496; 20.713
90; 96.573; 90
4768.29Rej, Supriya; Chatani, Naoto
Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.
Chemical science, 2020, 11, 389-395
1552856 CIFC38 H36 N4 O12 Rh2 S2I 1 2/a 117.4067; 10.6112; 22.164
90; 98.333; 90
4050.6Rej, Supriya; Chatani, Naoto
Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.
Chemical science, 2020, 11, 389-395
1552921 CIF
HKL
Paper
C8 H7 N2 O2.5 SI 1 2/a 116.3881; 4.6912; 22.4928
90; 97.512; 90
1714.4Razzoqova, Surayyo Razzoqovna; Kadirova, Shaxnoza; Ashurov, Jamshid Mengnorovich; Rakhmonova, Dilnoza Salamovna; Ziyaev, Abdukhakim; Parpiev, Nusrat Agzamovich
5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate
IUCrData, 2019, 4, x191532
1553230 CIFC20 H15 N3 O3I 1 2/a 113.6461; 10.723; 22.268
90; 90.915; 90
3258Nack, W. A.; Wang, B.; Wu, X.; Jiao, R.; He, G.; Chen, G.
Palladium-catalyzed arylation of β-methylene C(sp3)‒H bonds at room temperature: desymmetrization of simple cycloalkyl carboxylic acids
Organic Chemistry Frontiers, 2016, 3, 561
1553332 CIFC H OI 1 2/a 127.9933; 9.57267; 22.8556
90; 118.274; 90
5393.91Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang
Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.
Journal of natural products, 2018, 81, 1376-1383
1553465 CIFC16 H16 B N3 O2I 1 2/a 125.856; 5.37038; 21.5154
90; 101.646; 90
2926.05Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S.
“Click-fluors”: triazole-linked saccharide sensors
Organic Chemistry Frontiers, 2016, 3, 918
1553709 CIFC60 H24 F12 O12I 1 2/a 112.2591; 38.9347; 18.0305
90; 93.869; 90
8586.4Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu
Sterically crowded hydrogen-bonded hexagonal network frameworks
Materials Chemistry Frontiers, 2018, 2, 338
1553710 CIFC80 H68 O14I 1 2/a 127.8455; 22.4501; 29.8331
90; 95.3352; 90
18568.9Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu
Sterically crowded hydrogen-bonded hexagonal network frameworks
Materials Chemistry Frontiers, 2018, 2, 338
1553825 CIFC18 H22 O5I 1 2/a 19.6871; 14.029; 23.8866
90; 90.258; 90
3246.2Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong
Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters
Organic Chemistry Frontiers, 2017, 4, 2109
1554027 CIFC18 H15 BiI 1 2/a 126.5617; 5.7076; 20.2096
90; 109.72; 90
2884.16Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon
Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.
The journal of physical chemistry. A, 2016, 120, 6650-6669
1554146 CIFC22 H23 N O2I 1 2/a 114.715; 13.139; 17.882
90; 104.31; 90
3350Wang, Fang; DeRosa, Christopher A.; Song, Daniel; Dickie, Diane A.; Fraser, Cassandra L.
Environment-Sensitive Azepane-Substituted β-Diketones and Difluoroboron Complexes with Restricted C‒C Bond Rotation
The Journal of Physical Chemistry C, 2019, 123, 23124
1554606 CIFC57 H57 Cl N11 O2 U ZnI 1 2/a 128.7327; 22.93; 24.8036
90; 102.077; 90
15979.9Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1554608 CIFC87 H87 Cl Mg N17 O2 UI 1 2/a 124.852; 23.01; 28.754
90; 102.183; 90
16073Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.
Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study
Chemical Science, 2019, 10, 9740
1554846 CIFC34 H49 F12 N7 O4 P2I 1 2/a 124.915; 8.8562; 19.8464
90; 105.666; 90
4216.5Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David
Stable dicationic dioxoliums and fate of their dioxolyl radicals
Organic Chemistry Frontiers, 2019, 6, 3184
1556407 CIF
HKL
Paper
C9 H7 N O2I 1 2/a 17.3633; 12.0641; 8.9185
90; 103.738; 90
769.6Campos Fernandez, Cristian Saul; Pineda, Leslie W.; Cabezas Pizarro, Jorge
1-Nitro-4-(1-propyn-1-yl)benzene
IUCrData, 2019, 4, x191585
1556425 CIFC20 H34 Cl2 Cu N4 O12 S2I 1 2/a 117.9524; 11.0913; 16.3512
90; 100.154; 90
3204.8Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.
Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers
Inorganics, 2019, 7, 103
1556466 CIFC32 H28 Br O8 Ru2I 1 2/a 112.9939; 10.1996; 24.8297
90; 94.623; 90
3280Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R.
Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties
Inorganics, 2014, 2, 524-536
1556767 CIFC11 H9 N O6I 1 2/a 112.5506; 6.6807; 26.1586
90; 98.815; 90
2167.41Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.
Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.
IUCrJ, 2015, 2, 341-351
1556900 CIFC62 H79 Cl2 N5 O6 Pt SI 1 2/a 126.7934; 12.4321; 39.1414
90; 106.494; 90
12501.4Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.
Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour
Chemical Science, 2020, 11, 1839-1847
1557105 CIFC104 H96 B4 F16 N8 O4 Pd2I 1 2/a 128.36; 12.35285; 27.666
90; 94.6541; 90
9660.2Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.
Conformational control of Pd2L4 assemblies with unsymmetrical ligands
Chemical Science, 2020, 11, 677-683
1557207 CIFC19 H29 N3 O2I 1 2/a 117.03; 10.58; 22.26
90; 103.23; 90
3904Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei
n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media
Chemical Science, 2020, 11, 2707-2715
1557315 CIFC6 H12 F N0.5 Na0.5 O5 S2.5I 1 2/a 111.9451; 11.9286; 16.2807
90; 101.179; 90
2275.79Okamoto, Yukihiro; Tsuzuki, Seiji; Tatara, Ryoichi; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
High Transference Number of Na Ion in Liquid-State Sulfolane Solvates of Sodium Bis(fluorosulfonyl)amide
The Journal of Physical Chemistry C, 2020
1557444 CIFC31 H35 F6 N5 Ni O2 PI 1 2/a 122.4997; 8.4913; 17.7726
90; 111.646; 90
3156Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.
Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.
Chemical science, 2020, 11, 1683-1690
1557514 CIFC7 H3 K N O4I 1 2/a 17.0581; 11.6424; 9.2407
90; 103.046; 90
739.74Li, Chao; Wang, Kuaibing; Li, Jingze; Zhang, Qichun
Nanostructured potassium-organic framework as an effective anode for potassium-ion batteries with a long cycle life.
Nanoscale, 2020, 12, 7870-7874
1557940 CIFAl8 Ca4 H36 O50 Si8I 1 2/a 19.79; 10.437; 9.79
90; 90.97; 90
1000.2Wadoski-Romeijn, E.; Armbruster, T.
Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure
American Mineralogist, 2013, 98, 1988-1997
1557941 CIFAl8 Ca4 H36 O50 Si8I 1 2/a 19.434; 9.044; 9.695
90; 89.04; 90
827.1Wadoski-Romeijn, E.; Armbruster, T.
Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure
American Mineralogist, 2013, 98, 1988-1997
1558125 CIFC23 H21 F6 N3 O4 S4I 1 2/a 114.7979; 21.9313; 18.008
90; 112.854; 90
5385.48Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom
The effect of structural heterogeneity upon the microviscosity of ionic liquids.
Chemical science, 2020, 11, 6121-6133
1558370 CIFC36 H28 B2 Br2 N2I 1 2/a 118.504; 17.9348; 19.6933
90; 108.694; 90
6190.7Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing
BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes
Chemical Science, 2020
1558479 CIFC15 H12 Cl N O3I 1 2/a 117.4699; 6.8917; 22.137
90; 103.57; 90
2590.8Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.
Large Transition State Stabilization from a Weak Hydrogen Bond
Chemical Science, 2020
1558612 CIFC23 H21 Cl O7I 1 2/a 19.04; 16.15; 14.32
90; 101.67; 90
2047Chakraborty , Sandip; Joseph, Manu M.; Varughese, Sunil; Ghosh, Samrat; Maiti, Kaustabh; Samanta, Animesh; Ajayaghosh, Ayyappanpillai
A new pentacyclic pyrylium fluorescent probe that responds to pH imbalance during apoptosis
Chemical Science, 2020
1558745 CIFC23 H31 N3 O4I 1 2/a 110.072; 10.703; 41.298
90; 90.973; 90
4451Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L.
Excited State Electron Transfer from Donor−π System‒Acceptor Dyes to ZnO Nanocrystals
The Journal of Physical Chemistry C, 2020, 124, 15565-15573
1559284 CIFC48 H48 F5 N4 NiI 1 2/a 117.3579; 13.3131; 19.0795
90; 105.933; 90
4239.65Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin
Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene
Chemical Science, 2020
1559593 CIFC22 H13 Au2 Fe N7 O2I 1 2/a 114.1982; 22.6765; 14.9567
90; 90.0258; 90
4815.54Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio
Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.
Chemical science, 2020, 12, 1317-1326
1559636 CIFC32 H33 N3 O2 SI 1 2/a 118.90952; 10.14583; 28.4275
90; 93.3559; 90
5444.54Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme
Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.
Chemical science, 2020, 12, 1479-1485
1560138 CIFC16 H14 N2 O4I 1 2/a 117.4514; 4.6477; 35.608
90; 102.334; 90
2821.46Park, Hyunchang; Lee, Dongwhan
Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.
Chemical science, 2020, 12, 590-598
1560194 CIFCa O8 Te3I 1 2/a 19.9866; 5.67205; 12.2351
90; 111.913; 90
642.98Owen P. Missen; Anthony R. Kampf; Stuart J. Mills; Robert M. Housley; John Spratt; Mark D. Welch; Mark F. Coolbaugh; Joe Marty; Marek Chorazewicz; Cristiano Ferraris
The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2 . 3H2O, and carlfriesite, CaTe4+2Te6+O8
Mineralogical Magazine, 2019, 83, 439-549
1561204 CIFC252 H148 N42 O57 Tb7I 1 2/a 125.6264; 39.0611; 48.407
90; 103.147; 90
47185Zhu, Yuanyuan; Xia, Tifeng; Zhang, Qi; Cui, Yuanjing; Yang, Yu; Qian, Guodong
A Eu/Tb mixed lanthanide coordination polymer with rare 2D thick layers: Synthesis, characterization and ratiometric temperature sensing
Journal of Solid State Chemistry, 2018, 259, 98-103
1562839 CIFC92 H169.6 N16 S8 Zn8I 1 2/a 127.1708; 8.98003; 58.2262
90; 91.0722; 90
14204.4Bhide, Malavika; Mears, Kristian Luke; Carmalt, Claire J.; Knapp, Caroline E.
Synthesis, solution dynamics and chemical vapour deposition of heteroleptic zinc complexes via ethyl and amide zinc thioureides
Chemical Science, 2021
1563142 CIFC48 H100 K N7 O6 Si6 UI 1 2/a 122.6297; 23.9733; 23.9063
90; 92.9909; 90
12951.7Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella
Single metal four-electron reduction by U(ii) and masked "U(ii)" compounds.
Chemical science, 2021, 12, 6153-6158
1563504 CIFC7 H5 F In N O5I 1 2/a 112.929; 7.8554; 17.74
90; 100.66; 90
1770.6Kyung Kim, Min; Woo Lee, Dong; Min Ok, Kang
In[NC5H3(CO2)2](OH2)F: A new layered indium-organic framework material (NC5H3(CO2)2=2,6-pyridinedicarboxylate)
Journal of Solid State Chemistry, 2010, 183, 2406-2410
1563671 CIFC108 H72 Cl6 O12I 1 2/a 19.3082; 53.691; 30.7096
90; 97.504; 90
15216.2Suzuki, Yuto; GUTIÉRREZ, MARIO; Tanaka, Senri; Gomez Garcia, Eduardo; Tohnai, Norimitsu; Yasuda, Nobuhiro; Matubayasi, Nobuyuki; Douhal, Abderrazzak; Hisaki, Ichiro
Construction of Isostructural Hydrogen-bonded Organic Frameworks: Limitations and Possibilities of Pore Expansion
Chemical Science, 2021
1563852 CIF
HKL
C48 H58 Br Cu2 N10 O14 SmI 1 2/a 118.971; 15.5933; 19.549
90; 101.681; 90
5663.2Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang
Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties
Inorganica Chimica Acta, 2018, 483, 299-304
1563853 CIF
HKL
C48 H58 Br Cu2 Eu N10 O14I 1 2/a 118.972; 15.53; 19.512
90; 101.8; 90
5627Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang
Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties
Inorganica Chimica Acta, 2018, 483, 299-304
1563854 CIF
HKL
C48 H58 Br Cu2 Gd N10 O14I 1 2/a 118.95; 15.55; 19.36
90; 101.39; 90
5593Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang
Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties
Inorganica Chimica Acta, 2018, 483, 299-304
1563856 CIF
HKL
C48 H58 Br Cu2 Dy N10 O14I 1 2/a 118.968; 15.522; 19.472
90; 101.58; 90
5616Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang
Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties
Inorganica Chimica Acta, 2018, 483, 299-304
1564073 CIFC80 H74 F4 N8 O2 S3I 1 2/a 19.93013; 33.0819; 23.3061
90; 94.7559; 90
7629.87Li, Xiaojun; Luo, Siwei; sun, huiliang; Liu, Tao; Sung, Herman H-Y.; Yu, Han; Xiao, Yiqun; Bai, Fujin; Pan, Mingao; Lu, Xinhui; Williams, Ian Duncan; Guo, Xugang; Li, Yongfang; Yan, He
Medium Band-Gap Non-fullerene Acceptors Based on Benzothiophene Donor Moiety Enabling High-Performance Indoor Organic Photovoltaics
Energy & Environmental Science, 2021
1564114 CIFC28 H24 Cl12 Cu2 N4 O18I 1 2/a 119.2945; 6.0859; 37.7878
90; 98.136; 90
4392.5Li, Jun-Xia; Du, Zhong-Xiang; Zhang, Lu-Lu; Liu, Duo-Li; Pan, Qiu-Yue
Doubly mononuclear cocrystal and oxalato-bridged binuclear copper compounds containing flexible 2-((3,5,6-trichloropyridin-2-yl)oxy)acetate tectons: Synthesis, crystal analysis and magnetic properties
Inorganica Chimica Acta, 2020, 512, 119890

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