Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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7242258 | CIF | C27 H39 N3 O9 | P 1 21/c 1 | 13.6976; 15.5866; 28.4803 90; 91.167; 90 | 6079.25 | Raynal, Matthieu; Li, Yan; Troufflard, Claire; Przybylski, Cédric; Gontard, Geoffrey; Maistriaux, Thomas; Idé, Julien; Lazzaroni, Roberto; Bouteiller, Laurent; Brocorens, Patrick Experimental and computational diagnosis of the fluxional nature of a benzene-1,3,5-tricarboxamide-based hydrogen-bonded dimer Physical Chemistry Chemical Physics, 2021 |
7242259 | CIF | C27 H39 N3 O9 | P a -3 | 18.2873; 18.2873; 18.2873 90; 90; 90 | 6115.74 | Raynal, Matthieu; Li, Yan; Troufflard, Claire; Przybylski, Cédric; Gontard, Geoffrey; Maistriaux, Thomas; Idé, Julien; Lazzaroni, Roberto; Bouteiller, Laurent; Brocorens, Patrick Experimental and computational diagnosis of the fluxional nature of a benzene-1,3,5-tricarboxamide-based hydrogen-bonded dimer Physical Chemistry Chemical Physics, 2021 |
7242260 | CIF | C21 H16 N2 O5 S | P 1 21/c 1 | 14.0149; 7.6562; 18.38 90; 101.242; 90 | 1934.3 | Custodio, Jean; d'Oliveira, Giulio Demetrius Creazo; Gotardo, Fernando; Cocca, Leandro; Boni, Leonardo De; Perez, Caridad; Napolitano, Hamilton; Osório, Francisco; Valverde, Clodoaldo Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states Physical Chemistry Chemical Physics, 2021 |
7242414 | CIF | C34 H42 O8 S2 | P 1 21/c 1 | 22.969; 8.1561; 8.6458 90; 100.575; 90 | 1592.17 | Guilbert, Anne A. Y.; Parr, Zachary S.; Kreouzis, Theo; Woods, Duncan J.; Sprick, Reiner Sebastian; Abrahams, I.; Nielsen, Christian; Zbiri, Mohamed Effect of substituting non-polar chains with polar chains on the structural dynamics of small organic molecule and polymer semiconductors Physical Chemistry Chemical Physics, 2021 |
7242513 | CIF | C12 H10 F3 N3 O4 | P -1 | 7.5763; 8.5961; 10.7211 100.721; 99.964; 91.329 | 674.59 | Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L. Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects Physical Chemistry Chemical Physics, 2021 |
7242514 | CIF | C12 H10 F3 N3 O4 | C 1 2/c 1 | 11.1754; 10.0868; 23.6466 90; 101.827; 90 | 2608.95 | Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L. Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects Physical Chemistry Chemical Physics, 2021 |
7242535 | CIF | C93 H93 Cl26 Mn6 N15 O28 | P -3 1 c | 16.7906; 16.7906; 24.3807 90; 90; 120 | 5952.6 | Christou, George; Wernsdorfer, Wolfgang; Ghosh, Tuhin; Abboud, Khalil A.; Marbey, Jonathan; Hill, Stephen Exchange-biased Quantum Tunnelling of Magnetization in a [Mn3]2 Dimer of Single-Molecule Magnets with Rare Ferromagnetic Inter-Mn3 Coupling Physical Chemistry Chemical Physics, 2021 |
7242619 | CIF | C22 H20 O2 S | P 1 21/c 1 | 18.7765; 5.7331; 17.6642 90; 107.791; 90 | 1810.6 | Yakali, Gul Examination of Aggregation Induced Enhanced Emission in a Propeller Shaped Chiral- Nonconjugated Blue Emitter from Restricted Intramolecular Rotation and J Type π⋯π Stacking Interactions Physical Chemistry Chemical Physics, 2021 |
7242715 | CIF | C52 H36 N2 | I b a 2 | 18.0128; 27.5447; 7.2185 90; 90; 90 | 3581.5 | Sukegawa, Yoshihito; Sato, Kaito; Fujiwara, Wataru; Katagiri, Hiroshi; Yokoyama, Daisuke Effect of the conformer distribution on the properties of amorphous organic semiconductor films for organic light-emitting diodes Physical Chemistry Chemical Physics, 2021 |
7242746 | CIF | C47 H41 N3 O2 | C 1 c 1 | 31.5211; 14.7867; 33.4555 90; 112.551; 90 | 14401.1 | Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. Physical Chemistry Chemical Physics, 2021 |
7242747 | CIF | C51 H49 N3 O2 | P 1 n 1 | 21.61054; 13.8187; 28.98487 90; 110.27; 90 | 8119.7 | Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. Physical Chemistry Chemical Physics, 2021 |
7242790 | CIF | C74 H154 Mo12 N8 O36 | P -1 | 11.5075; 12.0506; 19.3113 76.208; 84.833; 85.902 | 2586.7 | Al-Yasari, Ahmed; El Moll, Hani; Purdy, Ryan; Vincent, Kevin B.; Spence, Philip; Malval, Jean-Pierre; Fielden, John Optical, Third Order Non-Linear Optical and Electrochemical Properties of Dipolar, Centrosymmetric and C2v Organoimido Polyoxometalate Derivatives Physical Chemistry Chemical Physics, 2021 |
7242805 | CIF | C40 H34 Cl8 N4 O6 | P -1 | 8.083; 9.0956; 15.0054 82.8035; 80.0928; 71.2636 | 1026.25 | Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021 |
7242806 | CIF | C22 H18 Cl4 N2 O5 | P -1 | 8.8026; 8.8626; 29.7363 83.6323; 85.5987; 89.666 | 2298.73 | Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021 |
7242807 | CIF | C40 H32 Cl8 N4 O6 | P -1 | 8.1544; 8.9059; 14.8899 81.5113; 81.5921; 70.0821 | 1000.15 | Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021 |
7242808 | CIF | C42 H38 Cl8 N4 O6 | P -1 | 12.6233; 13.3497; 16.0081 103.462; 100.435; 113.091 | 2298.7 | Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021 |
7242809 | CIF | C36 H30 Cl8 N4 O3 | P 1 21/n 1 | 7.9812; 32.6965; 14.5964 90; 91.2751; 90 | 3808.1 | Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L. A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement Physical Chemistry Chemical Physics, 2021 |
7242952 | CIF | C86 H86 N36 O20 | P 1 21/c 1 | 14.3621; 24.1237; 27.1906 90; 98.023; 90 | 9328.4 | Higginbotham, Heather; Maniam, Subashani; Hsia, Tina; Isaacs, Lyle D.; Langford, Steven J.; Bell, Toby D. M. Self-assembled, optically-active {naphthalene diimide}U{cucurbit[8]uril} ensembles in an aqueous environment Physical Chemistry Chemical Physics, 2021 |
7243264 | CIF | C30 H26 N4 O4 | P -1 | 9.4525; 11.1197; 14.5433 97.639; 108.409; 106.008 | 1352.99 | Witte, Felix; Rietsch, Philipp; Nirmalananthan-Budau, Nithiya; Weigert, Florian; Götze, Jan Phillip; Resch-Genger, Ute; Eigler, Siegfried; Paulus, Beate Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores Physical Chemistry Chemical Physics, 2021 |
7243365 | CIF | C30 H28 N4 O6 Zn2 | I 1 2/a 1 | 23.5031; 14.9393; 33.0899 90; 106.97; 90 | 11112.6 | Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base Physical Chemistry Chemical Physics, 2021 |
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