Crystallography Open Database

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1546276 CIFAl16 Ca5.33 H22.6 Na5.33 O91.3 Si24F d d 218.11287; 18.63331; 6.56618
90; 90; 90
2216.1Stahl, Kenny; Thomasson, Ronnie
The dehydration and rehydration processes in the natural zeolite mesolite studied by conventional and synchrotron X-ray powder diffraction
Zeolites, 1994, 14, 12-17
1546277 CIFAl16 Ca5.33 H46.4 Na5.33 O103.2 Si24F d d 218.618; 19.0312; 6.5421
90; 90; 90
2318.02Stahl, Kenny; Thomasson, Ronnie
The dehydration and rehydration processes in the natural zeolite mesolite studied by conventional and synchrotron X-ray powder diffraction
Zeolites, 1994, 14, 12-17
1546330 CIFC16 H10 N2 O3F d d 223.536; 42.75; 5.126
90; 90; 90
5158Tripathi, Chandra Bhushan; Ohtani, Tsuyoshi; Corbett, Michael T.; Ooi, Takashi
Photoredox ketone catalysis for the direct C‒H imidation and acyloxylation of arenes
Chem. Sci., 2017
1546559 CIFC12 H18 O2F d d 220.1291; 36.079; 5.9649
90; 90; 90
4331.9Armaly, Ahlam M.; Bar, Sukanta; Schindler, Corinna S.
Aluminum Chloride-Mediated Dieckmann Cyclization for the Synthesis of Cyclic 2-Alkyl-1,3-alkanediones: One-Step Synthesis of the Chiloglottones.
Organic letters, 2017, 19, 3958-3961
1547100 CIFC25 H30 N2 O4 SF d d 216.0693; 54.037; 10.9426
90; 90; 90
9501.9Zhao, Quan-Qing; Chen, Jun; Yan, Dong-Mei; Chen, Jia-Rong; Xiao, Wen-Jing
Photocatalytic Hydrazonyl Radical-Mediated Radical Cyclization/Allylation Cascade: Synthesis of Dihydropyrazoles and Tetrahydropyridazines.
Organic letters, 2017, 19, 3620-3623
1547993 CIFC48 H138.5 N12 O51.25 S6F d d 232.757; 34.249; 31.088
90; 90; 90
34877Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper
Three-dimensional protonic conductivity in porous organic cage solids
Nature Communications, 2016, 7, 12750
1547994 CIFC48 H138.5 N12 O51.25 S6F d d 232.848; 34.298; 31.413
90; 90; 90
35391Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper
Three-dimensional protonic conductivity in porous organic cage solids
Nature Communications, 2016, 7, 12750
1548641 CIFC23 H28 B F2 N3F d d 221.107; 50.004; 7.9376
90; 90; 90
8378Wenming Ren; Mingming Xu; Steven H. Liang; Huaijiang Xiang; Li Tang; Minkui Zhang; Dejun Ding; Xin Li; Haiyan Zhang; Youhong Hu
Discovery of a Novel Fluorescent Probe for the Sensitive Detection of beta-Amyloid Deposits
Biosensors and Bioelectronics, 2016, 75, 136-141
1548667 CIF
HKL
Paper
C17 H10 Cl4 OF d d 228.1477; 17.3385; 26.1837
90; 90; 90
12778.7Dravida Thendral, Era; Mohamooda Sumaya, U.; Gomathi, S.; Biruntha, K.; Usha, G.
(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one
IUCrData, 2018, 3, x171822
1549086 CIFC61 H90 B2 Cl Li O8F d d 212.2698; 43.946; 21.961
90; 90; 90
11841.6Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.
Chemical science, 2018, 9, 3881-3891
1549123 CIFC62 H34 F12 Fe N6 P2F d d 227.5449; 55.4159; 10.2412
90; 90; 90
15632Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel
Chiral macrocyclic terpyridine complexes.
Chemical science, 2018, 9, 3837-3843
1549238 CIFC23 H19 N O3 SF d d 222.362; 58.28; 5.779
90; 90; 90
7532Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno
Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.
Chemical science, 2018, 9, 4124-4131
1549403 CIFC32 H32 N6 O5F d d 229.697; 33.356; 5.4539
90; 90; 90
5402.5Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan
Copper mediated C-H amination with oximes: en route to primary anilines.
Chemical science, 2018, 9, 5160-5164
1549419 CIFGa2 Ge Na2 S Se5F d d 212.987; 23.653; 7.519
90; 90; 90
2310Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549420 CIFGa2 Ge Na2 Se6F d d 212.985; 23.88; 7.585
90; 90; 90
2352Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549421 CIFGa2 Na2 Se6 SnF d d 213.329; 24.291; 7.621
90; 90; 90
2467.5Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549422 CIFGa2 Na2 S Se5 SnF d d 213.264; 23.936; 7.514
90; 90; 90
2385.6Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1550507 CIFC22 H28 Br2 Si ZrF d d 252.0095; 19.2685; 8.6866
90; 90; 90
8705.2Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot
Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene
Polymer Chemistry, 2019, 10, 1386
1550509 CIFC24 H34 Si ZrF d d 252.131; 19.346; 8.7251
90; 90; 90
8799.5Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot
Group 4 permethylindenyl complexes for slurry-phase polymerisation of ethylene
Polymer Chemistry, 2019, 10, 1386
1550804 CIFC40 H28 Cl8 N4 O4 ZrF d d 226.427; 46.619; 12.8792
90; 90; 90
15867Mandal, Mrinmay; Ramkumar, Venkatachalam; Chakraborty, Debashis
Salen complexes of zirconium and hafnium: synthesis, structural characterization and polymerization studies
Polymer Chemistry, 2019, 10, 3444
1551782 CIFC19 H15 F O4F d d 225.057; 42.713; 5.792
90; 90; 90
6198.9PENKOVA, Anita; RETAILLEAU, Pascal; MANOLOV, Ilia
Crystal Structure of (4-(4-Fluorophenyl)-2-hydroxy-2-methyl-3,4-dihydropyrano[3,2-c]chromen-5(2H)-one
X-ray Structure Analysis Online, 2009, 25, 89
1551875 CIFC29 H46 Ir N5 P2F d d 219.853; 42.232; 14.782
90; 90; 90
12393.7Stefan Michlik; Rhett Kempe
A sustainable catalytic pyrrole synthesis
Nature Chemistry, 2013, 5, 140-144
1551892 CIFC48 H80 Fe4 N3 S4 Te4F d d 225.0146; 39.6995; 12.18
90; 90; 90
12095.6Wittkamp, Florian; Mishra, Nakul; Wang, Hongxin; Wille, Hans-Christian; Steinbrügge, René; Kaupp, Martin; Cramer, Stephen P.; Apfel, Ulf-Peter; Pelmenschikov, Vladimir
Insights from 125Te and 57Fe Nuclear Resonance Vibrational Spectroscopy: a [4Fe-4Te] Cluster from Two Points of View
Chemical Science, 2019
1551957 CIFC30 H29 N O2F d d 220.542; 74.483; 5.9207
90; 90; 90
9059Zhao, Dongbing; Zhang, Yun; Chen, Gong
Three-Component Vicinal-Diarylation of Alkenes via Directed Transmetalation of Arylboronic Acids
Chemical Science, 2019
1552504 CIFC20 H22 B NF d d 239.763; 37.788; 8.9491
90; 90; 90
13446.6Su, Xiaojun; Baker, J. J.; Martin, Caleb D.
Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.
Chemical science, 2020, 11, 126-131
1554058 CIFC12 H18 N4 OF d d 212.663; 33.528; 12.2027
90; 90; 90
5180.8Jeeva, Mani; Prabhu, G. Venkatesa; Boobalan, Maria susai; Rajesh, Chinnaiyan Mahalingam
Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl
The Journal of Physical Chemistry C, 2015, 119, 22025
1554059 CIFC11 H16 N4 O2F d d 212.2079; 34.449; 11.8236
90; 90; 90
4972.4Jeeva, Mani; Prabhu, G. Venkatesa; Boobalan, Maria susai; Rajesh, Chinnaiyan Mahalingam
Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl
The Journal of Physical Chemistry C, 2015, 119, 22025
1554517 CIFC19 H16 O2F d d 223.63; 42.848; 5.8546
90; 90; 90
5927.8Fan, Jian; Wang, Shengke; Chen, Jiahui; Wu, Manyi; Zhang, Jitan; Xie, Meihua
Synthesis of 2-acetyl trisubstituted furans via copper-mediated deacylation cleavage of unstrained C(sp3)‒C(sp2) bonds
Organic Chemistry Frontiers, 2019, 6, 437
1554722 CIFC12 H8 N2 S2F d d 215.9825; 9.7302; 13.6524
90; 90; 90
2123.12Barłóg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed
Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives
Organic Chemistry Frontiers, 2019, 6, 780
1554797 CIFC29 H49 B2 Co N2 O4F d d 218.923; 58.36; 11.127
90; 90; 90
12288Onuma, Kaoru; Suzuki, Katsunori; Yamashita, Makoto
Rhombic cyclobutadiene with a boryl/amino-substitution pattern: boryl group migration induced by reaction with water.
Organic letters, 2015, 17, 1212-1215
1555106 CIFC12 H14 O6F d d 237.2102; 18.06; 6.8155
90; 90; 90
4580.1Rashid, 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
1555329 CIFC17 H13 Cl O2F d d 224.4402; 52.631; 4.31801
90; 90; 90
5554.3Suzuki, Takeyuki; Ismiyarto, ?; Ishizaka, Yuka; Zhou, Da-Yang; Asano, Kaori; Sasai, Hiroaki
One-Pot Catalysis Using a Chiral Iridium Complex/Brønsted Base: Catalytic Asymmetric Synthesis of Catalponol.
Organic letters, 2015, 17, 5176-5179
1556194 CIFC16 H20 O3F d d 224.479; 35.736; 6.333
90; 90; 90
5540Yeom, Hyun-Suk; Li, Hui; Tang, Yu; Hsung, Richard P.
Total syntheses of cannabicyclol, clusiacyclol A and B, iso-eriobrucinol A and B, and eriobrucinol.
Organic letters, 2013, 15, 3130-3133
1556617 CIFC17 H26 Cu I N6F d d 218.055; 26.458; 16.438
90; 90; 90
7852Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.
Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis
Inorganics, 2018, 6, 114
1556645 CIFC40 H55 B2 Br N2 P2F d d 228.3736; 57.198; 10.0055
90; 90; 90
16238.1Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger
Hydrophosphination of boron‒boron multiple bonds
Chemical Science, 2020, 11, 1335-1341
1557292 CIFC10 H7 N5F d d 238.7645; 11.93147; 7.70847
90; 90; 90
3565.3Schnell, 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
1558267 CIFC19 H40 Cl Cr N4 O7F d d 231.663; 9.65; 15.848
90; 90; 90
4842Bang, E.; Eriksen, J.; Monsted, L.; Monsted, O.
Mechanism of Lactic Acid Formation Catalyzed by a Macrocyclic Chromium(III) Complex. A Comparison with the Glyoxalase I Enzyme
Acta Chemica Scandinavica, 1994, 48, 12-19
1558328 CIFC18 H22 Cu N4 O9F d d 221.561; 35.637; 11.1216
90; 90; 90
8545Vegas, V. G.; Beobide, G.; Castillo, O.; Reyes, E.; Gómez-García, C J; Zamora, F.; Amo-Ochoa, P
A bioinspired metal-organic approach to cross-linked functional 3D nanofibrous hydro- and aero-gels with effective mixture separation of nucleobases by molecular recognition.
Nanoscale, 2020, 12, 14699-14707
1559018 CIF
HKL
Paper
C10 H32 Cl2 N4 Ni O2F d d 224.7168; 16.6156; 8.3805
90; 90; 90
3441.7Miecznikowski, John R.; Jasinski, Jerry P.; Flaherty, Nicole F.; Mircovich, Emma E.; Smolinsky, Allison N.; Bertolotti, Natalia R.
<i>trans</i>-Diaquabis(<i>N</i>,<i>N</i>,<i>N</i>'-trimethylethylenediamine)nickel(II) dichloride
IUCrData, 2020, 5, x201182
1560760 CIFC35 H30 F6 N2 O7 Pd2F d d 237.712; 13.024; 15.254
90; 90; 90
7492Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András
The ortho effect in directed C‒H activation
Chemical Science, 2021, 12, 5152-5163
1560763 CIFC37 H34 F6 N2 O7 Pd2F d d 237.337; 13.419; 15.197
90; 90; 90
7614Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András
The ortho effect in directed C‒H activation
Chemical Science, 2021, 12, 5152-5163
1560792 CIFLi2 O12 P4 Rb2F d d 218.517; 19.037; 13.011
90; 90; 90
4586.5Baiheti, Tuohetijiang; Li, Hao; Yang, Zhihua; Han, Shujuan; Wang, Ying; Pan, Shilie
Two noncentrosymmetric polyphosphates featuring infinite one-dimensional (PO3)∞chain, LiMP2O6 (M = Rb, Cs): Synthesis, structure and optical properties
Journal of Solid State Chemistry, 2018, 266, 150-154
1560793 CIFCs2 Li2 O12 P4F d d 219.009; 19.402; 13.18
90; 90; 90
4861Baiheti, Tuohetijiang; Li, Hao; Yang, Zhihua; Han, Shujuan; Wang, Ying; Pan, Shilie
Two noncentrosymmetric polyphosphates featuring infinite one-dimensional (PO3)∞chain, LiMP2O6 (M = Rb, Cs): Synthesis, structure and optical properties
Journal of Solid State Chemistry, 2018, 266, 150-154
1561386 CIFAl Pd2 Sr2F d d 210.4145; 15.5824; 6.0437
90; 90; 90
980.79Stegemann, Frank; Benndorf, Christopher; Touzani, Rachid St.; Fokwa, Boniface P.T.; Janka, Oliver
Experimental and theoretical investigations of the polar intermetallics SrPt3Al2 and Sr2Pd2Al
Journal of Solid State Chemistry, 2016, 242, 143-150
1561496 CIFNa2 S6 Sn2 ZnF d d 212.9512; 23.5801; 7.2851
90; 90; 90
2224.8Yohannan, Jinu P.; Vidyasagar, Kanamaluru
Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides
Journal of Solid State Chemistry, 2016, 238, 147-155
1561497 CIFGa2 Ge Na2 S6F d d 212.4051; 22.7301; 7.2737
90; 90; 90
2051Yohannan, Jinu P.; Vidyasagar, Kanamaluru
Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides
Journal of Solid State Chemistry, 2016, 238, 147-155
1561498 CIFGa2 Na2 S6 SnF d d 212.7376; 23.142; 7.2822
90; 90; 90
2146.6Yohannan, Jinu P.; Vidyasagar, Kanamaluru
Syntheses and structural characterization of non-centrosymmetric Na2M2M'S6 (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides
Journal of Solid State Chemistry, 2016, 238, 147-155
1561813 CIFB12 Ba26 N27 Si5F d d 217.6942; 34.1437; 10.04098
90; 90; 90
6066.2Takayuki, Hashimoto; Yamane, Hisanori; Becker, Nils; Dronskowski, Richard
Synthesis and crystal structure of Ba26B12Si5N27 containing [Si2] dumbbells
Journal of Solid State Chemistry, 2015, 230, 390-396
1561906 CIFAl3 Ba0.99 Eu0.01 N9 Si4F d d 210.028; 53.353; 5.9215
90; 90; 90
3168.1Yamane, Hisanori; Yoshimura, Fumitaka
Synthesis, crystal structure and photoluminescence of (Ba0.99Eu0.01)Al3Si4N9
Journal of Solid State Chemistry, 2015, 228, 258-265
1562598 CIFC20 H14 N6 O9 PbF d d 222.5309; 27.5242; 6.8757
90; 90; 90
4263.9Yu, Xiao-Yang; Xin, Rui; Gao, Wei-Ping; Wang, Na; Zhang, Xiao; Yang, Yan-Yan; Qu, Xiao-Shu
Three PbII coordination polymers based on 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylic acid: Syntheses, crystal structures, and fluorescent properties
Journal of Solid State Chemistry, 2013, 204, 314-320

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