Crystallography Open Database

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1557655 CIFC58 H80 Fe3 Li3 Lu O7I 1 a 120.62; 32.856; 25.081
90; 104.923; 90
16419Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael
Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet
Chemical Science, 2020, 11, 3936-3951
1557664 CIFC7 H7 B O3I 1 a 17.1663; 9.8589; 9.865
90; 100.286; 90
685.78Chen, 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
1558604 CIFC14 H24 N10 O6 SI 1 a 17.003; 41.213; 7.062
90; 101.47; 90
1997.5Dahl, Tor
Crystal Structure of N(6),N(6)-Dimethyladeninium Hemisulfate Hydrate. The Tautomerism of N(6)-Substituted Adeninium Ions Elucidated by Molecular-Packing Analysis
Acta Chemica Scandinavica, 1993, 47, 38-42
1558680 CIFC30 H28 O2 SI 1 a 115.642; 17.335; 18.046
90; 98.641; 90
4837.7Aitchison, Catherine M.; Sachs, Michael; Little, Marc; Wilbraham, Liam; Brownbill, Nick J.; Kane, Chris; Blanc, Frédéric; Zwijnenburg, Martijn; Durrant, James; Sprick, Reiner Sebastian; Cooper, Andrew
Structure-activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water
Chemical Science, 2020
1561812 CIFC15 Cu Fe N8 OI 1 a 113.5597; 18.3476; 7.5551
90; 93.836; 90
1875.41Osiry, H.; Cano, A.; Lemus-Santana, A.A.; Rodríguez, A.; Carbonio, R.E.; Reguera, E.
Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties
Journal of Solid State Chemistry, 2015, 230, 374-380
1562415 CIFC12 H10 O2 SI 1 a 15.968; 7.371; 24.21
90; 94.51; 90
1061.7Fucci, Rosa; Vande Velde, Christophe M. L.
Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.
Faraday discussions, 2021, 231, 97-111
1563314 CIFC14 H12 F2I 1 a 18.495; 5.4887; 24.023
90; 98.001; 90
1109.21Winterson, Bethan; Rennigholtz, Tim; Wirth, Thomas
Flow electrochemistry: a safe tool for fluorine chemistry
Chemical Science, 2021
1565260 CIFC13 H20 Ag2 N6 O6 S2I 1 a 17.6253; 23.219; 11.6962
90; 96.025; 90
2059.39Beheshti, Azizolla; Panahi, Fatemeh; Soleymani-Babadi, Susan; Mayer, Peter; Lipkowski, Janusz; Motamedi, Hossein; Samiee, Sepideh
Rational synthesis, structural characterization, theoretical studies, antibacterial activity and selective dye absorption of new silver coordination polymers generated from a flexible bis (imidazole-2-thione) ligand
Inorganica Chimica Acta, 2020, 504, 119406
1567477 CIFC8 H8 F6 O2I 1 a 16.2917; 16.636; 9.166
90; 102.361; 90
937.15Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume
Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction
Chemical Science, 2022, 13, 9507-9514
1567925 CIFC23 H34 Ce F3 O4 SI 1 a 117.5622; 9.4099; 16.2878
90; 108.821; 90
2547.78Kynman, Amy E.; Elghanayan, Luca; Desnoyer, Addison; Yang, Yan; Severy, Laurent; Di Giuseppe, Andrea; Tilley, T. Don; Maron, Laurent; Arnold, Polly Louise
Controlled monodefluorination and alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal – Ligand Cooperativity
Chemical Science, 2022
1567966 CIFC17 H19 F2 N OI 1 a 19.6781; 11.1154; 14.2033
90; 103.627; 90
1484.92Yakubov, Shahboz; Stockerl, Willibald J.; Tian, Xianhai; Shahin, Ahmed; Mandigma, Mark John P.; Gschwind, Ruth M.; Barham, Joshua P.
Benzoates as photosensitization catalysts and auxiliaries in efficient, practical, light-powered direct C(sp3)–H fluorinations
Chemical Science, 2022
1569478 CIFC15 H9 N3 OI 1 a 14.4961; 23.1804; 14.3978
90; 98.812; 90
1482.85Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Kovrizhina, Anastasia R.; Sukhikh, Taisiya S.; Sadykov, Evgeniy H.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Khlebnikov, Andrei I.; Potapov, Andrei S.
Experimental and Computational Investigation of the Oxime Bond Stereochemistry in c-Jun N-terminal Kinase 3 Inhibitors 11H-Indeno[1,2-b]quinoxalin-11-one Oxime and Tryptanthrin-6-oxime
Pharmaceutics, 2023, 15, 1802
1570011 CIFC21 H13 F15 N6 O9 Pd S4I 1 a 114.056499; 14.319201; 17.2059
90; 95.848; 90
3445.14Blair, Matthew N.; Murray-Williams, Meadhbh; Maguire, Calum; Brown, Clare L.; Cao, Qun; Chai, Hongxin; Li, Yitong; O'Hagan, Róisín L.; Dingwall, Paul; Manesiotis, Panagiotis; Lyall, Catherine L.; Lowe, John P.; Hintermair, Ulrich; Knipe, Peter C.; Muldoon, Mark J.
Enhancing the performance for palladium catalysed tert-butyl hydroperoxide-mediated Wacker-type oxidation of alkenes
Catalysis Science & Technology, 2023, 13, 6224-6232
2000704 CIF
Paper
C16 H20 N O3 PI 1 a 112.058; 7.791; 17.006
90; 91.74; 90
1596.9Bartczak, T. J.; Wolf, W. M.; Stoeckli-Evans, H.
Structure of <i>r</i>-5-cyano-5-methyl-<i>t</i>-4-methyl-<i>t</i>-7-oxo-7-phenyl-8-oxa-7-phosphabicyclo[4.3.0]non-2-ene monohydrate
Acta Crystallographica Section C, 1992, 48, 1502-1504
2001233 CIF
Paper
C15 H23 N O2I 1 a 110.851; 14.057; 11.35
90; 114.8; 90
1571.6De Ridder, D. J. A.; Schenk, H.; Döpp, D.
Structure of 1,3,5-triisopropyl-2-nitrobenzene
Acta Crystallographica Section C, 1993, 49, 1970-1971
2004016 CIF
Paper
C19 H20 O2I 1 a 110.817; 12.62; 11.502
90; 91.44; 90
1569.6Judas, N.; Kaitner, B.; Mestrovic, E.
3,3-Dibenzylpentane-2,4-dione, C~19~H~20~O~2~
Acta Crystallographica Section C, 1995, 51, 2123-2125
2004921 CIF
Paper
C14 H23 N3 O6I 1 a 17.3684; 22.641; 10.479
90; 110.44; 90
1638.1Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2)
Acta Crystallographica C, 1996, 52, 1232-1236
2008298 CIF
Paper
C24 H16 N2 O8I 1 a 17.506; 29.143; 9.832
90; 99.04; 90
2124Meetsma, Auke; Keller, Erik; Feringa, Ben L.
(±)-6,6'-Dinitro-1,1'-binaphthyl 2,2'-diacetate
Acta Crystallographica Section C, 1999, 55, 450-452
2011145 CIF
Paper
C12 H11 Cl OI 1 a 17.146; 19.751; 7.408
90; 106.12; 90
1004.5Pani, Marcella; Mugnoli, Angelo; Sottofattori, Enzo
7-Chloro-3,6-dimethyl-1<i>H</i>-indene-2-carbaldehyde
Acta Crystallographica Section C, 2000, 56, 840-842
2011827 CIF
HKL
Paper
C7 H8 N2 O2I 1 a 17.6113; 11.6304; 8.2286
90; 94.05; 90
726.6Ferguson, George; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
Hydrogen bonding in <i>C</i>-methylated nitroanilines: the three-dimensional framework structure of 2-methyl-4-nitroaniline
Acta Crystallographica Section C, 2001, 57, 315-316

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